5-[(3-chlorophenyl)methyl]-3,6-dimethyl-2-(4-oxidanylidene-4-piperidin-1-yl-butyl)sulfanyl-pyrimidin-4-one

Systemtic Name: 5-[(3-chlorophenyl)methyl]-3,6-dimethyl-2-(4-oxidanylidene-4-piperidin-1-yl-butyl)sulfanyl-pyrimidin-4-one Openeye Name: 5-[(3-chlorophenyl)methyl]-3,6-dimethyl-2-[4-oxo-4-(1-piperidyl)butyl]sulfanyl-pyrimidin-4-one CAS Name: 5-[(3-chlorophenyl)methyl]-3,6-dimethyl-2-[[4-oxo-4-(1-piperidinyl)butyl]thio]-4-pyrimidinone IUPAC Name: 5-[(3-chlorophenyl)methyl]-3,6-dimethyl-2-(4-oxo-4-piperidin-1-ylbutyl)sulfanylpyrimidin-4-one Traditional Name: 5-(3-chlorobenzyl)-2-[(4-keto-4-piperidino-butyl)thio]-3,6-dimethyl-pyrimidin-4-one Formula: C22H28ClN3O2S MolecularWeight: 433.99462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)SCCCC(=O)N2CCCCC2)C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)SCCCC(=O)N2CCCCC2)C)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H28ClN3O2S/c1-16-19(15-17-8-6-9-18(23)14-17)21(28)25(2)22(24-16)29-13-7-10-20(27)26-11-4-3-5-12-26/h6,8-9,14H,3-5,7,10-13,15H2,1-2H3