2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
727978-39-4
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Formula:
C15H16N6O2S2
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Chemical Name:
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
MLS000759910;CHEMBL1339825;HMS1747F14;HMS2753E10;ZINC13597922;AKOS033670505;MCULE-9248790058;SMR000370024;SR-01000046644;SR-01000046644-1;Z19279341;5-{[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one;727978-39-4
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CAS No:
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
376.5 g/mol
376.07761612 g/mol
Computed Properties
Molecular Weight:376.5
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:376.07761612
Monoisotopic Mass:376.07761612
Topological Polar Surface Area:166
Heavy Atom Count:25
Complexity:706
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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