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

Systemtic Name: 1-[3-(dimethylamino)propyl]-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-[3-(dimethylamino)propyl]urea CAS Name: 1-[3-(dimethylamino)propyl]-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-[3-(dimethylamino)propyl]urea Traditional Name: 1-[4-[1-(1-benzyl-4-piperidyl)-4-morpholino-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-[3-(dimethylamino)propyl]urea Formula: C33H43N9O2 MolecularWeight: 597.75362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H43N9O2/c1-39(2)16-6-15-34-33(43)36-27-11-9-26(10-12-27)30-37-31(41-19-21-44-22-20-41)29-23-35-42(32(29)38-30)28-13-17-40(18-14-28)24-25-7-4-3-5-8-25/h3-5,7-12,23,28H,6,13-22,24H2,1-2H3,(H2,34,36,43)