2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetonitrile
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2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetonitrile
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CAS No:
39908-33-3
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Formula:
C9H9N5O2
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Chemical Name:
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetonitrile
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Synonyms:
39908-33-3;7H-Purine-7-acetonitrile, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-;CHEMBL66058;7-Cyanomethyltheophylline;2-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)acetonitrile;BRN 0255613;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetonitrile;1,3-Dimethyl-1,2,3,6-tetrahydro-2,6-dioxo-7H-purine-7-acetonitrile;Oprea1_540770;Oprea1_628957;4-26-00-02395 (Beilstein Handbook Reference);SCHEMBL10652515;ZINC33452;DTXSID30192962;1,3-dimethyl-7-cyanomethylxanthine;7-Cyanomethyl-1,3-dimethylxanthine;BDBM50113251;STK743539;(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetonitrile;AKOS000644538;MCULE-4043102547;ST047720;AG-205/13322080;SR-01000526779;SR-01000526779-1;Z73835882;2-(1,3-dimethyl-2,6-dioxo-1,3,7-trihydropurin-7-yl)ethanenitrile;(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetonitrile;(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl cyanide;2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetonitrile;2-(1,3-Dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)acetonitrile
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CAS No:
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetonitrile Basic Attributes
219.20 g/mol
219.07562455 g/mol
DTXSID30192962
Computed Properties
Molecular Weight:219.20
XLogP3:-0.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:219.07562455
Monoisotopic Mass:219.07562455
Topological Polar Surface Area:82.2
Heavy Atom Count:16
Complexity:387
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
- Hot Searches
- vanillin structure
- dmds
- acid capric
- red88 ag
- malachite green
- sulfate formula
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