6-methyl-2-[3-[(4-thiophen-2-ylcarbonylpiperazin-1-yl)methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[3-[(4-thiophen-2-ylcarbonylpiperazin-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[3-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[3-[[4-(2-thenoyl)piperazino]methyl]phenyl]-1H-pyrimidin-4-one Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)C2=CC(=CC=C2)CN3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=O)N=C(N1)C2=CC(=CC=C2)CN3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N4O2S/c1-15-12-19(26)23-20(22-15)17-5-2-4-16(13-17)14-24-7-9-25(10-8-24)21(27)18-6-3-11-28-18/h2-6,11-13H,7-10,14H2,1H3,(H,22,23,26)