N-[4-[4-azanyl-1-(3-imidazol-1-yl-2-oxidanyl-propyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide

Systemtic Name: N-[4-[4-azanyl-1-(3-imidazol-1-yl-2-oxidanyl-propyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide Openeye Name: N-[4-[4-amino-1-(2-hydroxy-3-imidazol-1-yl-propyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide CAS Name: N-[4-[4-amino-1-[2-hydroxy-3-(1-imidazolyl)propyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-1-methyl-2-indolecarboxamide IUPAC Name: N-[4-[4-amino-1-(2-hydroxy-3-imidazol-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide Traditional Name: N-[4-[4-amino-1-(2-hydroxy-3-imidazol-1-yl-propyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide Formula: C28H27N9O3 MolecularWeight: 537.57248

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C=C1C(=O)NC3=C(C=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)CC(CN6C=CN=C6)O)OC

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)NC3=C(C=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)CC(CN6C=CN=C6)O)OC

InChI

InChI=1S/C28H27N9O3/c1-35-21-6-4-3-5-17(21)11-22(35)28(39)33-20-8-7-18(12-23(20)40-2)25-24-26(29)31-15-32-27(24)37(34-25)14-19(38)13-36-10-9-30-16-36/h3-12,15-16,19,38H,13-14H2,1-2H3,(H,33,39)(H2,29,31,32)