[5-methyl-4-(4-methylphenyl)thiophen-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: [5-methyl-4-(4-methylphenyl)thiophen-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [5-methyl-4-(p-tolyl)-3-thienyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [5-methyl-4-(4-methylphenyl)-3-thiophenyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: [5-methyl-4-(4-methylphenyl)thiophen-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: [5-methyl-4-(p-tolyl)-3-thienyl]-[4-(2-pyrimidyl)piperazino]methanone Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2C(=O)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2C(=O)N3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C21H22N4OS/c1-15-4-6-17(7-5-15)19-16(2)27-14-18(19)20(26)24-10-12-25(13-11-24)21-22-8-3-9-23-21/h3-9,14H,10-13H2,1-2H3