1-[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-3-(phenylmethyl)urea Openeye Name: 1-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-3-benzyl-urea CAS Name: 1-[4-[4-amino-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-3-(phenylmethyl)urea IUPAC Name: 1-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-3-benzylurea Traditional Name: 1-[4-[4-amino-1-[4-(4-methylpiperazino)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-3-benzyl-urea Formula: C31H39N9O2 MolecularWeight: 569.70046

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NC(=O)NCC6=CC=CC=C6)OC)C(=NC=N4)N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NC(=O)NCC6=CC=CC=C6)OC)C(=NC=N4)N

InChI

InChI=1S/C31H39N9O2/c1-38-14-16-39(17-15-38)23-9-11-24(12-10-23)40-30-27(29(32)34-20-35-30)28(37-40)22-8-13-25(26(18-22)42-2)36-31(41)33-19-21-6-4-3-5-7-21/h3-8,13,18,20,23-24H,9-12,14-17,19H2,1-2H3,(H2,32,34,35)(H2,33,36,41)