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

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-chloranyl-benzamide Openeye Name: N-[6-amino-4-oxo-2-(2-pyridylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-chloro-benzamide CAS Name: N-[6-amino-4-oxo-2-(2-pyridinylmethylthio)-1H-pyrimidin-5-yl]-4-chlorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-5-yl]-4-chlorobenzamide Traditional Name: N-[6-amino-4-keto-2-(2-pyridylmethylthio)-1H-pyrimidin-5-yl]-4-chloro-benzamide Formula: C17H14ClN5O2S MolecularWeight: 387.84336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=NC(=C1)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN5O2S/c18-11-6-4-10(5-7-11)15(24)21-13-14(19)22-17(23-16(13)25)26-9-12-3-1-2-8-20-12/h1-8H,9H2,(H,21,24)(H3,19,22,23,25)