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

Systemtic Name: N-[6-azanyl-2-(cyanomethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[6-amino-2-(cyanomethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-2-(cyanomethylthio)-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-amino-2-(cyanomethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-2-(cyanomethylthio)-4-keto-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C15H15N5O4S MolecularWeight: 361.3757

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC#N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC#N)N)OC

InChI

InChI=1S/C15H15N5O4S/c1-23-9-4-3-8(7-10(9)24-2)13(21)18-11-12(17)19-15(20-14(11)22)25-6-5-16/h3-4,7H,6H2,1-2H3,(H,18,21)(H3,17,19,20,22)