6-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2-piperazin-1-yl-1H-pyrimidin-4-one

Systemtic Name: 6-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2-piperazin-1-yl-1H-pyrimidin-4-one Openeye Name: 6-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2-piperazin-1-yl-1H-pyrimidin-4-one CAS Name: 6-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-2-(1-piperazinyl)-1H-pyrimidin-4-one IUPAC Name: 6-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2-piperazin-1-yl-1H-pyrimidin-4-one Traditional Name: 6-[[4-(2,3-dimethylphenyl)piperazino]methyl]-2-piperazino-1H-pyrimidin-4-one Formula: C21H30N6O MolecularWeight: 382.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC(=O)N=C(N3)N4CCNCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CC3=CC(=O)N=C(N3)N4CCNCC4)C

InChI

InChI=1S/C21H30N6O/c1-16-4-3-5-19(17(16)2)26-12-10-25(11-13-26)15-18-14-20(28)24-21(23-18)27-8-6-22-7-9-27/h3-5,14,22H,6-13,15H2,1-2H3,(H,23,24,28)