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

Systemtic Name: N-(6-azanyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-3,4-dimethoxy-benzamide Openeye Name: N-(6-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-(6-amino-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-(methylthio)-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C14H16N4O4S MolecularWeight: 336.36624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SC)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SC)N)OC

InChI

InChI=1S/C14H16N4O4S/c1-21-8-5-4-7(6-9(8)22-2)12(19)16-10-11(15)17-14(23-3)18-13(10)20/h4-6H,1-3H3,(H,16,19)(H3,15,17,18,20)