1-(2-dimethylaminoethyl)-3-[4-[4-morpholin-4-yl-1-[1-(phenylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]urea

Systemtic Name: 1-(2-dimethylaminoethyl)-3-[4-[4-morpholin-4-yl-1-[1-(phenylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]urea Openeye Name: 1-[4-[1-(1-benzyl-4-piperidyl)-4-morpholino-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-(2-dimethylaminoethyl)urea CAS Name: 1-(2-dimethylaminoethyl)-3-[4-[4-(4-morpholinyl)-1-[1-(phenylmethyl)-4-piperidinyl]-6-pyrazolo[3,4-d]pyrimidinyl]phenyl]urea IUPAC Name: 1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-(2-dimethylaminoethyl)urea Traditional Name: 1-[4-[1-(1-benzyl-4-piperidyl)-4-morpholino-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-(2-dimethylaminoethyl)urea Formula: C32H41N9O2 MolecularWeight: 583.72704

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCN(CC4)CC5=CC=CC=C5)C(=N2)N6CCOCC6

Isomeric SMILES

CN(C)CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCN(CC4)CC5=CC=CC=C5)C(=N2)N6CCOCC6

InChI

InChI=1S/C32H41N9O2/c1-38(2)17-14-33-32(42)35-26-10-8-25(9-11-26)29-36-30(40-18-20-43-21-19-40)28-22-34-41(31(28)37-29)27-12-15-39(16-13-27)23-24-6-4-3-5-7-24/h3-11,22,27H,12-21,23H2,1-2H3,(H2,33,35,42)