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

Systemtic Name: 1-[4-[4-morpholin-4-yl-1-[1-(phenylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-prop-2-enyl-urea Openeye Name: 1-allyl-3-[4-[1-(1-benzyl-4-piperidyl)-4-morpholino-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]urea CAS Name: 1-[4-[4-(4-morpholinyl)-1-[1-(phenylmethyl)-4-piperidinyl]-6-pyrazolo[3,4-d]pyrimidinyl]phenyl]-3-prop-2-enylurea IUPAC Name: 1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-6-yl]phenyl]-3-prop-2-enylurea Traditional Name: 1-allyl-3-[4-[1-(1-benzyl-4-piperidyl)-4-morpholino-pyrazolo[3,4-d]pyrimidin-6-yl]phenyl]urea Formula: C31H36N8O2 MolecularWeight: 552.66994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36N8O2/c1-2-14-32-31(40)34-25-10-8-24(9-11-25)28-35-29(38-17-19-41-20-18-38)27-21-33-39(30(27)36-28)26-12-15-37(16-13-26)22-23-6-4-3-5-7-23/h2-11,21,26H,1,12-20,22H2,(H2,32,34,40)