9-[4-(3,4-dihydro-2H-quinolin-1-yl)butyl]-2-phenylazanyl-3H-purin-6-one dihydrochloride

Systemtic Name: 9-[4-(3,4-dihydro-2H-quinolin-1-yl)butyl]-2-phenylazanyl-3H-purin-6-one dihydrochloride Openeye Name: 2-anilino-9-[4-(3,4-dihydro-2H-quinolin-1-yl)butyl]-3H-purin-6-one dihydrochloride CAS Name: 2-anilino-9-[4-(3,4-dihydro-2H-quinolin-1-yl)butyl]-3H-purin-6-one dihydrochloride IUPAC Name: 2-anilino-9-[4-(3,4-dihydro-2H-quinolin-1-yl)butyl]-3H-purin-6-one dihydrochloride Traditional Name: 2-anilino-9-[4-(3,4-dihydro-2H-quinolin-1-yl)butyl]-3H-purin-6-one dihydrochloride Formula: C24H28Cl2N6O MolecularWeight: 487.42472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)CCCCN3C=NC4=C3NC(=NC4=O)NC5=CC=CC=C5.Cl.Cl

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)CCCCN3C=NC4=C3NC(=NC4=O)NC5=CC=CC=C5.Cl.Cl

InChI

InChI=1S/C24H26N6O.2ClH/c31-23-21-22(27-24(28-23)26-19-11-2-1-3-12-19)30(17-25-21)15-7-6-14-29-16-8-10-18-9-4-5-13-20(18)29;;/h1-5,9,11-13,17H,6-8,10,14-16H2,(H2,26,27,28,31);2*1H