3-[2-cyclopentyl-6-(2-pyrrolidin-1-ylethylamino)pyrazolo[3,4-d]pyrimidin-4-yl]-2-oxidanylidene-1,3-dihydroindole-5-carbonitrile

Systemtic Name: 3-[2-cyclopentyl-6-(2-pyrrolidin-1-ylethylamino)pyrazolo[3,4-d]pyrimidin-4-yl]-2-oxidanylidene-1,3-dihydroindole-5-carbonitrile Openeye Name: 3-[2-cyclopentyl-6-(2-pyrrolidin-1-ylethylamino)pyrazolo[3,4-d]pyrimidin-4-yl]-2-oxo-indoline-5-carbonitrile CAS Name: 3-[2-cyclopentyl-6-[2-(1-pyrrolidinyl)ethylamino]-4-pyrazolo[3,4-d]pyrimidinyl]-2-oxo-1,3-dihydroindole-5-carbonitrile IUPAC Name: 3-[2-cyclopentyl-6-(2-pyrrolidin-1-ylethylamino)pyrazolo[3,4-d]pyrimidin-4-yl]-2-oxo-1,3-dihydroindole-5-carbonitrile Traditional Name: 3-[2-cyclopentyl-6-(2-pyrrolidinoethylamino)pyrazolo[3,4-d]pyrimidin-4-yl]-2-keto-indoline-5-carbonitrile Formula: C25H28N8O MolecularWeight: 456.54282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=C3C(=NC(=NC3=N2)NCCN4CCCC4)C5C6=C(C=CC(=C6)C#N)NC5=O

Isomeric SMILES

C1CCC(C1)N2C=C3C(=NC(=NC3=N2)NCCN4CCCC4)C5C6=C(C=CC(=C6)C#N)NC5=O

InChI

InChI=1S/C25H28N8O/c26-14-16-7-8-20-18(13-16)21(24(34)28-20)22-19-15-33(17-5-1-2-6-17)31-23(19)30-25(29-22)27-9-12-32-10-3-4-11-32/h7-8,13,15,17,21H,1-6,9-12H2,(H,28,34)(H,27,30,31)