2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=O)C=C(N2)N)OC

InChI

InChI=1S/C14H16N4O4S/c1-21-9-4-3-8(5-10(9)22-2)16-13(20)7-23-14-17-11(15)6-12(19)18-14/h3-6H,7H2,1-2H3,(H,16,20)(H3,15,17,18,19)