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

Systemtic Name: 4-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide Openeye Name: 4-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide CAS Name: 4-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-[2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: 4-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide Traditional Name: 4-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]-N-(2-pyrrolidinoethyl)benzamide Formula: C22H28ClN5OS MolecularWeight: 446.00862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

Isomeric SMILES

C1CCN(C1)CCNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCCC4

InChI

InChI=1S/C22H28ClN5OS/c23-19-15-20(28-12-3-4-13-28)26-22(25-19)30-16-17-5-7-18(8-6-17)21(29)24-9-14-27-10-1-2-11-27/h5-8,15H,1-4,9-14,16H2,(H,24,29)