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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-methyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-(2-pyridylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-methyl-benzamide CAS Name: N-[6-amino-4-oxo-2-(2-pyridinylmethylthio)-1H-pyrimidin-5-yl]-4-methylbenzamide IUPAC Name: N-[6-amino-4-oxo-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-methylbenzamide Traditional Name: N-[6-amino-4-keto-2-(2-pyridylmethylthio)-1H-pyrimidin-5-yl]-4-methyl-benzamide Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=CC=N3)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC3=CC=CC=N3)N

InChI

InChI=1S/C18H17N5O2S/c1-11-5-7-12(8-6-11)16(24)21-14-15(19)22-18(23-17(14)25)26-10-13-4-2-3-9-20-13/h2-9H,10H2,1H3,(H,21,24)(H3,19,22,23,25)