2-azanyl-7-[(4-nitrophenyl)methyl]-3H-purin-6-one dihydrochloride

Systemtic Name: 2-azanyl-7-[(4-nitrophenyl)methyl]-3H-purin-6-one dihydrochloride Openeye Name: 2-amino-7-[(4-nitrophenyl)methyl]-3H-purin-6-one dihydrochloride CAS Name: 2-amino-7-[(4-nitrophenyl)methyl]-3H-purin-6-one dihydrochloride IUPAC Name: 2-amino-7-[(4-nitrophenyl)methyl]-3H-purin-6-one dihydrochloride Traditional Name: 2-amino-7-(4-nitrobenzyl)-3H-purin-6-one dihydrochloride Formula: C12H12Cl2N6O3 MolecularWeight: 359.16808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2C(=O)N=C(N3)N)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2C(=O)N=C(N3)N)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C12H10N6O3.2ClH/c13-12-15-10-9(11(19)16-12)17(6-14-10)5-7-1-3-8(4-2-7)18(20)21;;/h1-4,6H,5H2,(H3,13,15,16,19);2*1H