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

Systemtic Name: 1-[4-[4-morpholin-4-yl-1-[1-(phenylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-(3-oxidanylpropyl)urea Openeye Name: 1-[4-[1-(1-benzyl-4-piperidyl)-4-morpholino-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-(3-hydroxypropyl)urea CAS Name: 1-(3-hydroxypropyl)-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-hydroxypropyl)urea Traditional Name: 1-[4-[1-(1-benzyl-4-piperidyl)-4-morpholino-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-(3-hydroxypropyl)urea Formula: C31H38N8O3 MolecularWeight: 570.68522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(C=N2)C(=NC(=N3)C4=CC=C(C=C4)NC(=O)NCCCO)N5CCOCC5)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1N2C3=C(C=N2)C(=NC(=N3)C4=CC=C(C=C4)NC(=O)NCCCO)N5CCOCC5)CC6=CC=CC=C6

InChI

InChI=1S/C31H38N8O3/c40-18-4-13-32-31(41)34-25-9-7-24(8-10-25)28-35-29(38-16-19-42-20-17-38)27-21-33-39(30(27)36-28)26-11-14-37(15-12-26)22-23-5-2-1-3-6-23/h1-3,5-10,21,26,40H,4,11-20,22H2,(H2,32,34,41)