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

Systemtic Name: 1-(cyclopropylmethyl)-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-(cyclopropylmethyl)urea CAS Name: 1-(cyclopropylmethyl)-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-(cyclopropylmethyl)urea Traditional Name: 1-[4-[1-(1-benzyl-4-piperidyl)-4-morpholino-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-(cyclopropylmethyl)urea Formula: C32H38N8O2 MolecularWeight: 566.69652

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=O)NC2=CC=C(C=C2)C3=NC4=C(C=NN4C5CCN(CC5)CC6=CC=CC=C6)C(=N3)N7CCOCC7

Isomeric SMILES

C1CC1CNC(=O)NC2=CC=C(C=C2)C3=NC4=C(C=NN4C5CCN(CC5)CC6=CC=CC=C6)C(=N3)N7CCOCC7

InChI

InChI=1S/C32H38N8O2/c41-32(33-20-23-6-7-23)35-26-10-8-25(9-11-26)29-36-30(39-16-18-42-19-17-39)28-21-34-40(31(28)37-29)27-12-14-38(15-13-27)22-24-4-2-1-3-5-24/h1-5,8-11,21,23,27H,6-7,12-20,22H2,(H2,33,35,41)