3-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-dimethylaminoethyl)-N-(phenylmethyl)benzamide

Systemtic Name: 3-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-dimethylaminoethyl)-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide CAS Name: 3-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-(2-dimethylaminoethyl)-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(2-dimethylaminoethyl)benzamide Traditional Name: N-benzyl-3-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(2-dimethylaminoethyl)benzamide Formula: C27H32ClN5OS MolecularWeight: 510.09388

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

Isomeric SMILES

CN(C)CCN(CC1=CC=CC=C1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

InChI

InChI=1S/C27H32ClN5OS/c1-31(2)15-16-33(19-21-9-4-3-5-10-21)26(34)23-12-8-11-22(17-23)20-35-27-29-24(28)18-25(30-27)32-13-6-7-14-32/h3-5,8-12,17-18H,6-7,13-16,19-20H2,1-2H3