N-[6-azanyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-(6-amino-2-benzylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-2-(benzylthio)-4-keto-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=CC=C3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=CC=C3)N)OC

InChI

InChI=1S/C20H20N4O4S/c1-27-14-9-8-13(10-15(14)28-2)18(25)22-16-17(21)23-20(24-19(16)26)29-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,22,25)(H3,21,23,24,26)