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

Systemtic Name: 9-[4-(3-methoxypiperidin-1-yl)butyl]-2-phenylazanyl-3H-purin-6-one dihydrochloride Openeye Name: 2-anilino-9-[4-(3-methoxy-1-piperidyl)butyl]-3H-purin-6-one dihydrochloride CAS Name: 2-anilino-9-[4-(3-methoxy-1-piperidinyl)butyl]-3H-purin-6-one dihydrochloride IUPAC Name: 2-anilino-9-[4-(3-methoxypiperidin-1-yl)butyl]-3H-purin-6-one dihydrochloride Traditional Name: 2-anilino-9-[4-(3-methoxypiperidino)butyl]-3H-purin-6-one dihydrochloride Formula: C21H30Cl2N6O2 MolecularWeight: 469.4079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CCCN(C1)CCCCN2C=NC3=C2NC(=NC3=O)NC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

COC1CCCN(C1)CCCCN2C=NC3=C2NC(=NC3=O)NC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C21H28N6O2.2ClH/c1-29-17-10-7-12-26(14-17)11-5-6-13-27-15-22-18-19(27)24-21(25-20(18)28)23-16-8-3-2-4-9-16;;/h2-4,8-9,15,17H,5-7,10-14H2,1H3,(H2,23,24,25,28);2*1H