2,8-bis(azanyl)-9-[(4-oxidanylidenecyclohexyl)methyl]-3H-purin-6-one dihydrochloride

Systemtic Name: 2,8-bis(azanyl)-9-[(4-oxidanylidenecyclohexyl)methyl]-3H-purin-6-one dihydrochloride Openeye Name: 2,8-diamino-9-[(4-oxocyclohexyl)methyl]-3H-purin-6-one dihydrochloride CAS Name: 2,8-diamino-9-[(4-oxocyclohexyl)methyl]-3H-purin-6-one dihydrochloride IUPAC Name: 2,8-diamino-9-[(4-oxocyclohexyl)methyl]-3H-purin-6-one dihydrochloride Traditional Name: 2,8-diamino-9-[(4-ketocyclohexyl)methyl]-3H-purin-6-one dihydrochloride Formula: C12H18Cl2N6O2 MolecularWeight: 349.21632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1CN2C3=C(C(=O)N=C(N3)N)N=C2N.Cl.Cl

Isomeric SMILES

C1CC(=O)CCC1CN2C3=C(C(=O)N=C(N3)N)N=C2N.Cl.Cl

InChI

InChI=1S/C12H16N6O2.2ClH/c13-11-16-9-8(10(20)17-11)15-12(14)18(9)5-6-1-3-7(19)4-2-6;;/h6H,1-5H2,(H2,14,15)(H3,13,16,17,20);2*1H