2-phenylazanyl-9-(4-piperidin-1-ylbutyl)-3H-purin-6-one dihydrochloride

Systemtic Name: 2-phenylazanyl-9-(4-piperidin-1-ylbutyl)-3H-purin-6-one dihydrochloride Openeye Name: 2-anilino-9-[4-(1-piperidyl)butyl]-3H-purin-6-one dihydrochloride CAS Name: 2-anilino-9-[4-(1-piperidinyl)butyl]-3H-purin-6-one dihydrochloride IUPAC Name: 2-anilino-9-(4-piperidin-1-ylbutyl)-3H-purin-6-one dihydrochloride Traditional Name: 2-anilino-9-(4-piperidinobutyl)-3H-purin-6-one dihydrochloride Formula: C20H28Cl2N6O MolecularWeight: 439.38192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCCN2C=NC3=C2NC(=NC3=O)NC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CCN(CC1)CCCCN2C=NC3=C2NC(=NC3=O)NC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C20H26N6O.2ClH/c27-19-17-18(23-20(24-19)22-16-9-3-1-4-10-16)26(15-21-17)14-8-7-13-25-11-5-2-6-12-25;;/h1,3-4,9-10,15H,2,5-8,11-14H2,(H2,22,23,24,27);2*1H