3-(3-methylphenyl)-1-(oxan-4-yl)-4-[2-[(4-piperazin-1-ylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one

Systemtic Name: 3-(3-methylphenyl)-1-(oxan-4-yl)-4-[2-[(4-piperazin-1-ylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one Openeye Name: 3-(m-tolyl)-4-[2-[(4-piperazin-1-ylcyclohexyl)amino]pyrimidin-4-yl]-1-tetrahydropyran-4-yl-imidazol-2-one CAS Name: 3-(3-methylphenyl)-1-(4-oxanyl)-4-[2-[[4-(1-piperazinyl)cyclohexyl]amino]-4-pyrimidinyl]-2-imidazolone IUPAC Name: 3-(3-methylphenyl)-1-(oxan-4-yl)-4-[2-[(4-piperazin-1-ylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one Traditional Name: 3-(m-tolyl)-4-[2-[(4-piperazinocyclohexyl)amino]pyrimidin-4-yl]-1-tetrahydropyran-4-yl-4-imidazolin-2-one Formula: C29H39N7O2 MolecularWeight: 517.66566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CN(C2=O)C3CCOCC3)C4=NC(=NC=C4)NC5CCC(CC5)N6CCNCC6

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CN(C2=O)C3CCOCC3)C4=NC(=NC=C4)NC5CCC(CC5)N6CCNCC6

InChI

InChI=1S/C29H39N7O2/c1-21-3-2-4-25(19-21)36-27(20-35(29(36)37)24-10-17-38-18-11-24)26-9-12-31-28(33-26)32-22-5-7-23(8-6-22)34-15-13-30-14-16-34/h2-4,9,12,19-20,22-24,30H,5-8,10-11,13-18H2,1H3,(H,31,32,33)