4-[[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide

Systemtic Name: 4-[[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide Openeye Name: 4-[[4-(4-benzyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-benzamide CAS Name: 4-[[[4-chloro-6-[4-(phenylmethyl)-1-piperidinyl]-2-pyrimidinyl]thio]methyl]-N-cyclopropylbenzamide IUPAC Name: 4-[[4-(4-benzylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylbenzamide Traditional Name: 4-[[[4-(4-benzylpiperidino)-6-chloro-pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-benzamide Formula: C27H29ClN4OS MolecularWeight: 493.06336

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)Cl)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H29ClN4OS/c28-24-17-25(32-14-12-20(13-15-32)16-19-4-2-1-3-5-19)31-27(30-24)34-18-21-6-8-22(9-7-21)26(33)29-23-10-11-23/h1-9,17,20,23H,10-16,18H2,(H,29,33)