N-[4-[(3-butyl-2,6-dioxo-1-prop-2-enyl-7H-purin-8-yl)methyl]phenyl]acetamide
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N-[4-[(3-butyl-2,6-dioxo-1-prop-2-enyl-7H-purin-8-yl)methyl]phenyl]acetamide
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CAS No:
628279-02-7
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Formula:
C21H25N5O3
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Chemical Name:
N-[4-[(3-butyl-2,6-dioxo-1-prop-2-enyl-7H-purin-8-yl)methyl]phenyl]acetamide
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Synonyms:
1-ALLYL-3-BUTYL-8-(N-ACETYL-4-AMINOBENZYL)-XANTHINE;628279-02-7;N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-PHENYL]-ACETAMIDE;N-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)PHENYL]ACETAMIDE;TSX;CHEMBL120293;SCHEMBL3977480;1m51;ZINC15677757;DB03267;FT-0661502;FT-0661503;Q27094193;1-Allyl-3-butyl-8-[4-(acetylamino)benzyl]-1,2,3,6-tetrahydro-7H-purine-2,6-dione;N-{4-[(3-butyl-2,6-dioxo-1-prop-2-en-1-yl-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl]phenyl}acetamide
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CAS No:
N-[4-[(3-butyl-2,6-dioxo-1-prop-2-enyl-7H-purin-8-yl)methyl]phenyl]acetamide Basic Attributes
395.5 g/mol
395.19573968 g/mol
Computed Properties
Molecular Weight:395.5
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:395.19573968
Monoisotopic Mass:395.19573968
Topological Polar Surface Area:98.4
Heavy Atom Count:29
Complexity:632
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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