2-[6-azanyl-2-[cyclohexa-1,3-dien-1-yl(1H-inden-5-yl)amino]purin-9-yl]ethanol

Systemtic Name: 2-[6-azanyl-2-[cyclohexa-1,3-dien-1-yl(1H-inden-5-yl)amino]purin-9-yl]ethanol Openeye Name: 2-[6-amino-2-[cyclohexa-1,3-dien-1-yl(1H-inden-5-yl)amino]purin-9-yl]ethanol CAS Name: 2-[6-amino-2-[1-cyclohexa-1,3-dienyl(1H-inden-5-yl)amino]-9-purinyl]ethanol IUPAC Name: 2-[6-amino-2-[cyclohexa-1,3-dien-1-yl(1H-inden-5-yl)amino]purin-9-yl]ethanol Traditional Name: 2-[6-amino-2-[cyclohexa-1,3-dien-1-yl(1H-inden-5-yl)amino]purin-9-yl]ethanol Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC=C1)N(C2=CC3=C(CC=C3)C=C2)C4=NC5=C(C(=N4)N)N=CN5CCO

Isomeric SMILES

C1CC(=CC=C1)N(C2=CC3=C(CC=C3)C=C2)C4=NC5=C(C(=N4)N)N=CN5CCO

InChI

InChI=1S/C22H22N6O/c23-20-19-21(27(11-12-29)14-24-19)26-22(25-20)28(17-7-2-1-3-8-17)18-10-9-15-5-4-6-16(15)13-18/h1-2,4,6-7,9-10,13-14,29H,3,5,8,11-12H2,(H2,23,25,26)