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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-4-oxo-2-(3-pyridylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-(3-pyridinylmethylthio)-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-4-oxo-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-(3-pyridylmethylthio)-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CN=CC=C3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CN=CC=C3)N

InChI

InChI=1S/C19H19N5O3S/c1-2-27-14-7-5-13(6-8-14)17(25)22-15-16(20)23-19(24-18(15)26)28-11-12-4-3-9-21-10-12/h3-10H,2,11H2,1H3,(H,22,25)(H3,20,23,24,26)