1-[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(3-methylphenyl)urea Openeye Name: 1-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(m-tolyl)urea CAS Name: 1-[4-[4-amino-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-3-pyrazolo[3,4-d]pyrimidinyl]phenyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(3-methylphenyl)urea Traditional Name: 1-[4-[4-amino-1-[4-(4-methylpiperazino)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(m-tolyl)urea Formula: C30H37N9O MolecularWeight: 539.67448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCC(CC5)N6CCN(CC6)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)N)C5CCC(CC5)N6CCN(CC6)C

InChI

InChI=1S/C30H37N9O/c1-20-4-3-5-23(18-20)35-30(40)34-22-8-6-21(7-9-22)27-26-28(31)32-19-33-29(26)39(36-27)25-12-10-24(11-13-25)38-16-14-37(2)15-17-38/h3-9,18-19,24-25H,10-17H2,1-2H3,(H2,31,32,33)(H2,34,35,40)