2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-pyridin-4-yl-ethanamide

Systemtic Name: 2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-pyridin-4-yl-ethanamide Openeye Name: 2-[6-amino-1-(4-chlorophenyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(4-pyridyl)acetamide CAS Name: 2-[[6-amino-1-(4-chlorophenyl)-4-oxo-2-pyrimidinyl]thio]-N-pyridin-4-ylacetamide IUPAC Name: 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-pyridin-4-ylacetamide Traditional Name: 2-[[6-amino-1-(4-chlorophenyl)-4-keto-pyrimidin-2-yl]thio]-N-(4-pyridyl)acetamide Formula: C17H14ClN5O2S MolecularWeight: 387.84336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=CC=NC=C3)N)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=CC(=O)N=C2SCC(=O)NC3=CC=NC=C3)N)Cl

InChI

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