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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[6-amino-4-oxo-2-(3-pyridylmethylsulfanyl)-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-(3-pyridinylmethylthio)-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-amino-4-oxo-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-(3-pyridylmethylthio)-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O4S/c1-27-13-6-5-12(8-14(13)28-2)17(25)22-15-16(20)23-19(24-18(15)26)29-10-11-4-3-7-21-9-11/h3-9H,10H2,1-2H3,(H,22,25)(H3,20,23,24,26)