2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)sulfonyl-ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(p-tolylsulfonyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(4-methylphenyl)sulfonylacetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)sulfonylacetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-tosyl-acetamide Formula: C13H14N4O4S2 MolecularWeight: 354.40466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C13H14N4O4S2/c1-8-2-4-9(5-3-8)23(20,21)17-12(19)7-22-13-15-10(14)6-11(18)16-13/h2-6H,7H2,1H3,(H,17,19)(H3,14,15,16,18)