N-[4-[4-azanyl-1-(3-imidazol-1-ylpropyl)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-ylpropyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide Openeye Name: N-[4-[4-amino-1-(3-imidazol-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide CAS Name: N-[4-[4-amino-1-[3-(1-imidazolyl)propyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]-1-methyl-2-indolecarboxamide IUPAC Name: N-[4-[4-amino-1-(3-imidazol-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide Traditional Name: N-[4-[4-amino-1-(3-imidazol-1-ylpropyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide Formula: C28H27N9O2 MolecularWeight: 521.57308

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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)CCCN6C=CN=C6)OC

Isomeric SMILES

CN1C2=CC=CC=C2C=C1C(=O)NC3=C(C=C(C=C3)C4=NN(C5=C4C(=NC=N5)N)CCCN6C=CN=C6)OC

InChI

InChI=1S/C28H27N9O2/c1-35-21-7-4-3-6-18(21)14-22(35)28(38)33-20-9-8-19(15-23(20)39-2)25-24-26(29)31-16-32-27(24)37(34-25)12-5-11-36-13-10-30-17-36/h3-4,6-10,13-17H,5,11-12H2,1-2H3,(H,33,38)(H2,29,31,32)