2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-(2-dimethylaminoethyl)-N-(phenylmethyl)ethanamide

Systemtic Name: 2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-(2-dimethylaminoethyl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-(2-dimethylaminoethyl)acetamide CAS Name: 2-[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]-N-(2-dimethylaminoethyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-N-(2-dimethylaminoethyl)acetamide Traditional Name: N-benzyl-2-[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]-N-(2-dimethylaminoethyl)acetamide Formula: C21H28ClN5OS MolecularWeight: 433.99792

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(CC1=CC=CC=C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCCC3

Isomeric SMILES

CN(C)CCN(CC1=CC=CC=C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCCC3

InChI

InChI=1S/C21H28ClN5OS/c1-25(2)12-13-27(15-17-8-4-3-5-9-17)20(28)16-29-21-23-18(22)14-19(24-21)26-10-6-7-11-26/h3-5,8-9,14H,6-7,10-13,15-16H2,1-2H3