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

Systemtic Name: 9-[4-[bis(prop-2-enyl)amino]butyl]-2-phenylazanyl-3H-purin-6-one dihydrochloride Openeye Name: 2-anilino-9-[4-(diallylamino)butyl]-3H-purin-6-one dihydrochloride CAS Name: 2-anilino-9-[4-[bis(prop-2-enyl)amino]butyl]-3H-purin-6-one dihydrochloride IUPAC Name: 2-anilino-9-[4-[bis(prop-2-enyl)amino]butyl]-3H-purin-6-one dihydrochloride Traditional Name: 2-anilino-9-[4-(diallylamino)butyl]-3H-purin-6-one dihydrochloride Formula: C21H28Cl2N6O MolecularWeight: 451.39262

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CCCCN1C=NC2=C1NC(=NC2=O)NC3=CC=CC=C3)CC=C.Cl.Cl

Isomeric SMILES

C=CCN(CCCCN1C=NC2=C1NC(=NC2=O)NC3=CC=CC=C3)CC=C.Cl.Cl

InChI

InChI=1S/C21H26N6O.2ClH/c1-3-12-26(13-4-2)14-8-9-15-27-16-22-18-19(27)24-21(25-20(18)28)23-17-10-6-5-7-11-17;;/h3-7,10-11,16H,1-2,8-9,12-15H2,(H2,23,24,25,28);2*1H