2-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanyl-1,3-di(piperidin-1-yl)propane-1,3-dione

Systemtic Name: 2-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanyl-1,3-di(piperidin-1-yl)propane-1,3-dione Openeye Name: 2-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanyl-1,3-bis(1-piperidyl)propane-1,3-dione CAS Name: 2-[[4-(4-chlorophenyl)-2-pyrimidinyl]thio]-1,3-bis(1-piperidinyl)propane-1,3-dione IUPAC Name: 2-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanyl-1,3-di(piperidin-1-yl)propane-1,3-dione Traditional Name: 2-[[4-(4-chlorophenyl)pyrimidin-2-yl]thio]-1,3-dipiperidino-propane-1,3-dione Formula: C23H27ClN4O2S MolecularWeight: 459.00408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C(=O)N2CCCCC2)SC3=NC=CC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C(C(=O)N2CCCCC2)SC3=NC=CC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H27ClN4O2S/c24-18-9-7-17(8-10-18)19-11-12-25-23(26-19)31-20(21(29)27-13-3-1-4-14-27)22(30)28-15-5-2-6-16-28/h7-12,20H,1-6,13-16H2