2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-N-[(phenylmethylidene)amino]ethanamide

Systemtic Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-N-[(phenylmethylidene)amino]ethanamide Openeye Name: 2-[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]sulfanyl-N-(benzylideneamino)acetamide CAS Name: 2-[[2-(1-azepanyl)-6-methyl-4-pyrimidinyl]thio]-N-[(phenylmethylene)amino]acetamide IUPAC Name: 2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]sulfanyl-N-(benzylideneamino)acetamide Traditional Name: 2-[[2-(azepan-1-yl)-6-methyl-pyrimidin-4-yl]thio]-N-(benzalamino)acetamide Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCCCCC2)SCC(=O)NN=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCCCCC2)SCC(=O)NN=CC3=CC=CC=C3

InChI

InChI=1S/C20H25N5OS/c1-16-13-19(23-20(22-16)25-11-7-2-3-8-12-25)27-15-18(26)24-21-14-17-9-5-4-6-10-17/h4-6,9-10,13-14H,2-3,7-8,11-12,15H2,1H3,(H,24,26)