9-[4-[bis(2-hydroxyethyl)amino]butyl]-2-phenylazanyl-3H-purin-6-one dihydrochloride

Systemtic Name: 9-[4-[bis(2-hydroxyethyl)amino]butyl]-2-phenylazanyl-3H-purin-6-one dihydrochloride Openeye Name: 2-anilino-9-[4-[bis(2-hydroxyethyl)amino]butyl]-3H-purin-6-one dihydrochloride CAS Name: 2-anilino-9-[4-[bis(2-hydroxyethyl)amino]butyl]-3H-purin-6-one dihydrochloride IUPAC Name: 2-anilino-9-[4-[bis(2-hydroxyethyl)amino]butyl]-3H-purin-6-one dihydrochloride Traditional Name: 2-anilino-9-[4-[bis(2-hydroxyethyl)amino]butyl]-3H-purin-6-one dihydrochloride Formula: C19H28Cl2N6O3 MolecularWeight: 459.37002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)CCCCN(CCO)CCO.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N(C=N3)CCCCN(CCO)CCO.Cl.Cl

InChI

InChI=1S/C19H26N6O3.2ClH/c26-12-10-24(11-13-27)8-4-5-9-25-14-20-16-17(25)22-19(23-18(16)28)21-15-6-2-1-3-7-15;;/h1-3,6-7,14,26-27H,4-5,8-13H2,(H2,21,22,23,28);2*1H