9-[4-(3,5-dimethylpiperazin-1-yl)butyl]-2-phenylazanyl-3H-purin-6-one trihydrochloride

Systemtic Name: 9-[4-(3,5-dimethylpiperazin-1-yl)butyl]-2-phenylazanyl-3H-purin-6-one trihydrochloride Openeye Name: 2-anilino-9-[4-(3,5-dimethylpiperazin-1-yl)butyl]-3H-purin-6-one trihydrochloride CAS Name: 2-anilino-9-[4-(3,5-dimethyl-1-piperazinyl)butyl]-3H-purin-6-one trihydrochloride IUPAC Name: 2-anilino-9-[4-(3,5-dimethylpiperazin-1-yl)butyl]-3H-purin-6-one trihydrochloride Traditional Name: 2-anilino-9-[4-(3,5-dimethylpiperazino)butyl]-3H-purin-6-one trihydrochloride Formula: C21H32Cl3N7O MolecularWeight: 504.88408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)CCCCN2C=NC3=C2NC(=NC3=O)NC4=CC=CC=C4.Cl.Cl.Cl

Isomeric SMILES

CC1CN(CC(N1)C)CCCCN2C=NC3=C2NC(=NC3=O)NC4=CC=CC=C4.Cl.Cl.Cl

InChI

InChI=1S/C21H29N7O.3ClH/c1-15-12-27(13-16(2)23-15)10-6-7-11-28-14-22-18-19(28)25-21(26-20(18)29)24-17-8-4-3-5-9-17;;;/h3-5,8-9,14-16,23H,6-7,10-13H2,1-2H3,(H2,24,25,26,29);3*1H