N-(2-aminophenyl)-5-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentanamide

Systemtic Name: N-(2-aminophenyl)-5-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentanamide Openeye Name: N-(2-aminophenyl)-5-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentanamide CAS Name: N-(2-aminophenyl)-5-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]pentanamide IUPAC Name: N-(2-aminophenyl)-5-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]pentanamide Traditional Name: N-(2-aminophenyl)-5-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]valeramide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCCCC(=O)NC3=CC=CC=C3N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCCCCC(=O)NC3=CC=CC=C3N

InChI

InChI=1S/C21H22N4O2S/c22-16-10-4-5-11-17(16)23-19(26)12-6-7-13-28-21-24-18(14-20(27)25-21)15-8-2-1-3-9-15/h1-5,8-11,14H,6-7,12-13,22H2,(H,23,26)(H,24,25,27)