1-cyclopentyl-3-[4-(3-nitrophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-cyclopentyl-3-[4-(3-nitrophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-cyclopentyl-3-[4-(3-nitrophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-cyclopentyl-3-[4-(3-nitrophenoxy)phenyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-cyclopentyl-3-[4-(3-nitrophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-cyclopentyl-3-[4-(3-nitrophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC(=C5)[N+](=O)[O-])C(=NC=N3)N

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC(=C5)[N+](=O)[O-])C(=NC=N3)N

InChI

InChI=1S/C22H20N6O3/c23-21-19-20(26-27(15-4-1-2-5-15)22(19)25-13-24-21)14-8-10-17(11-9-14)31-18-7-3-6-16(12-18)28(29)30/h3,6-13,15H,1-2,4-5H2,(H2,23,24,25)