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

Systemtic Name: 2-(6-methyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)sulfanyl-N-[(phenylmethylidene)amino]ethanamide Openeye Name: N-(benzylideneamino)-2-(6-methyl-2-pyrrolidin-1-yl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: 2-[[6-methyl-2-(1-pyrrolidinyl)-4-pyrimidinyl]thio]-N-[(phenylmethylene)amino]acetamide IUPAC Name: N-(benzylideneamino)-2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(benzalamino)-2-[(6-methyl-2-pyrrolidino-pyrimidin-4-yl)thio]acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCCC2)SCC(=O)NN=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCCC2)SCC(=O)NN=CC3=CC=CC=C3

InChI

InChI=1S/C18H21N5OS/c1-14-11-17(21-18(20-14)23-9-5-6-10-23)25-13-16(24)22-19-12-15-7-3-2-4-8-15/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3,(H,22,24)