1-(2-ethylphenyl)-3-[4-[4-(2-morpholin-4-ylethylamino)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea

Systemtic Name: 1-(2-ethylphenyl)-3-[4-[4-(2-morpholin-4-ylethylamino)-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]urea Openeye Name: 1-[4-[1-benzyl-4-(2-morpholinoethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(2-ethylphenyl)urea CAS Name: 1-(2-ethylphenyl)-3-[4-[4-[2-(4-morpholinyl)ethylamino]-1-(phenylmethyl)-3-pyrazolo[3,4-d]pyrimidinyl]phenyl]urea IUPAC Name: 1-[4-[1-benzyl-4-(2-morpholin-4-ylethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(2-ethylphenyl)urea Traditional Name: 1-[4-[1-benzyl-4-(2-morpholinoethylamino)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-3-(2-ethylphenyl)urea Formula: C33H36N8O2 MolecularWeight: 576.69134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)NCCN5CCOCC5)CC6=CC=CC=C6

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)C3=NN(C4=C3C(=NC=N4)NCCN5CCOCC5)CC6=CC=CC=C6

InChI

InChI=1S/C33H36N8O2/c1-2-25-10-6-7-11-28(25)38-33(42)37-27-14-12-26(13-15-27)30-29-31(34-16-17-40-18-20-43-21-19-40)35-23-36-32(29)41(39-30)22-24-8-4-3-5-9-24/h3-15,23H,2,16-22H2,1H3,(H,34,35,36)(H2,37,38,42)