4-[2-(4-methylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[2-(4-methylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[2-(4-methylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[2-(4-methyl-1-piperazinyl)-4-phenyl-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2-(4-methylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[2-(4-methylpiperazino)-4-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=CC(=C3C=CC(=O)C=C3)N2)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=NC(=CC(=C3C=CC(=O)C=C3)N2)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O/c1-24-11-13-25(14-12-24)21-22-19(16-5-3-2-4-6-16)15-20(23-21)17-7-9-18(26)10-8-17/h2-10,15H,11-14H2,1H3,(H,22,23)