6,8-bis(azanyl)-9-(chloromethyl)-3-(4-nitrophenyl)purin-2-one

Systemtic Name: 6,8-bis(azanyl)-9-(chloromethyl)-3-(4-nitrophenyl)purin-2-one Openeye Name: 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)purin-2-one CAS Name: 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)-2-purinone IUPAC Name: 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)purin-2-one Traditional Name: 6,8-diamino-9-(chloromethyl)-3-(4-nitrophenyl)purin-2-one Formula: C12H10ClN7O3 MolecularWeight: 335.7059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C3=C(C(=NC2=O)N)N=C(N3CCl)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N2C3=C(C(=NC2=O)N)N=C(N3CCl)N)[N+](=O)[O-]

InChI

InChI=1S/C12H10ClN7O3/c13-5-18-10-8(16-11(18)15)9(14)17-12(21)19(10)6-1-3-7(4-2-6)20(22)23/h1-4H,5H2,(H2,15,16)(H2,14,17,21)