4-(2-chlorophenyl)-2-piperidin-1-yl-N-propan-2-yl-N-(thiolan-3-yl)pyrimidine-5-carboxamide

Systemtic Name: 4-(2-chlorophenyl)-2-piperidin-1-yl-N-propan-2-yl-N-(thiolan-3-yl)pyrimidine-5-carboxamide Openeye Name: 4-(2-chlorophenyl)-N-isopropyl-2-(1-piperidyl)-N-tetrahydrothiophen-3-yl-pyrimidine-5-carboxamide CAS Name: 4-(2-chlorophenyl)-2-(1-piperidinyl)-N-propan-2-yl-N-(3-thiolanyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(2-chlorophenyl)-2-piperidin-1-yl-N-propan-2-yl-N-(thiolan-3-yl)pyrimidine-5-carboxamide Traditional Name: 4-(2-chlorophenyl)-N-isopropyl-2-piperidino-N-tetrahydrothiophen-3-yl-pyrimidine-5-carboxamide Formula: C23H29ClN4OS MolecularWeight: 445.02056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1CCSC1)C(=O)C2=CN=C(N=C2C3=CC=CC=C3Cl)N4CCCCC4

Isomeric SMILES

CC(C)N(C1CCSC1)C(=O)C2=CN=C(N=C2C3=CC=CC=C3Cl)N4CCCCC4

InChI

InChI=1S/C23H29ClN4OS/c1-16(2)28(17-10-13-30-15-17)22(29)19-14-25-23(27-11-6-3-7-12-27)26-21(19)18-8-4-5-9-20(18)24/h4-5,8-9,14,16-17H,3,6-7,10-13,15H2,1-2H3