1-[3-[5-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[3-[5-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[3-[5-(p-tolyl)pyrimidin-4-yl]-1-piperidyl]-4-(2-thienyl)butan-1-one CAS Name: 1-[3-[5-(4-methylphenyl)-4-pyrimidinyl]-1-piperidinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[3-[5-(4-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[3-[5-(p-tolyl)pyrimidin-4-yl]piperidino]-4-(2-thienyl)butan-1-one Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN=CN=C2C3CCCN(C3)C(=O)CCCC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN=CN=C2C3CCCN(C3)C(=O)CCCC4=CC=CS4

InChI

InChI=1S/C24H27N3OS/c1-18-9-11-19(12-10-18)22-15-25-17-26-24(22)20-5-3-13-27(16-20)23(28)8-2-6-21-7-4-14-29-21/h4,7,9-12,14-15,17,20H,2-3,5-6,8,13,16H2,1H3