6-[1-(5-methyl-4-phenyl-thiophen-3-yl)carbonylpiperidin-4-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[1-(5-methyl-4-phenyl-thiophen-3-yl)carbonylpiperidin-4-yl]-1H-pyrimidin-4-one Openeye Name: 6-[1-(5-methyl-4-phenyl-thiophene-3-carbonyl)-4-piperidyl]-1H-pyrimidin-4-one CAS Name: 6-[1-[(5-methyl-4-phenyl-3-thiophenyl)-oxomethyl]-4-piperidinyl]-1H-pyrimidin-4-one IUPAC Name: 6-[1-(5-methyl-4-phenylthiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-4-one Traditional Name: 6-[1-(5-methyl-4-phenyl-thiophene-3-carbonyl)-4-piperidyl]-1H-pyrimidin-4-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CS1)C(=O)N2CCC(CC2)C3=CC(=O)N=CN3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CS1)C(=O)N2CCC(CC2)C3=CC(=O)N=CN3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c1-14-20(16-5-3-2-4-6-16)17(12-27-14)21(26)24-9-7-15(8-10-24)18-11-19(25)23-13-22-18/h2-6,11-13,15H,7-10H2,1H3,(H,22,23,25)