2-(3,4-dihydro-1H-isoquinolin-2-yl)-9-ethyl-N-(3-nitrophenyl)purin-6-amine

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-9-ethyl-N-(3-nitrophenyl)purin-6-amine Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-9-ethyl-N-(3-nitrophenyl)purin-6-amine CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-9-ethyl-N-(3-nitrophenyl)-6-purinamine IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-9-ethyl-N-(3-nitrophenyl)purin-6-amine Traditional Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-9-ethyl-purin-6-yl]-(3-nitrophenyl)amine Formula: C22H21N7O2 MolecularWeight: 415.44784

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC(=CC=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C22H21N7O2/c1-2-27-14-23-19-20(24-17-8-5-9-18(12-17)29(30)31)25-22(26-21(19)27)28-11-10-15-6-3-4-7-16(15)13-28/h3-9,12,14H,2,10-11,13H2,1H3,(H,24,25,26)