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

Systemtic Name: 1-[[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-phenyl-methyl]-3-(phenylmethyl)urea Openeye Name: 1-[[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-phenyl-methyl]-3-benzyl-urea CAS Name: 1-[[4-[4-amino-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-3-pyrazolo[3,4-d]pyrimidinyl]phenyl]-phenylmethyl]-3-(phenylmethyl)urea IUPAC Name: 1-[[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-phenylmethyl]-3-benzylurea Traditional Name: 1-[[4-[4-amino-1-[4-(4-methylpiperazino)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-phenyl-methyl]-3-benzyl-urea Formula: C37H43N9O MolecularWeight: 629.79702

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)C(C6=CC=CC=C6)NC(=O)NCC7=CC=CC=C7)C(=NC=N4)N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)C(C6=CC=CC=C6)NC(=O)NCC7=CC=CC=C7)C(=NC=N4)N

InChI

InChI=1S/C37H43N9O/c1-44-20-22-45(23-21-44)30-16-18-31(19-17-30)46-36-32(35(38)40-25-41-36)34(43-46)29-14-12-28(13-15-29)33(27-10-6-3-7-11-27)42-37(47)39-24-26-8-4-2-5-9-26/h2-15,25,30-31,33H,16-24H2,1H3,(H2,38,40,41)(H2,39,42,47)