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

Systemtic Name: 2,8-bis(azanyl)-9-[(3,4-dichlorophenyl)methyl]-3H-purin-6-one Openeye Name: 2,8-diamino-9-[(3,4-dichlorophenyl)methyl]-3H-purin-6-one CAS Name: 2,8-diamino-9-[(3,4-dichlorophenyl)methyl]-3H-purin-6-one IUPAC Name: 2,8-diamino-9-[(3,4-dichlorophenyl)methyl]-3H-purin-6-one Traditional Name: 2,8-diamino-9-(3,4-dichlorobenzyl)-3H-purin-6-one Formula: C12H10Cl2N6O MolecularWeight: 325.1534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C3=C(C(=O)N=C(N3)N)N=C2N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CN2C3=C(C(=O)N=C(N3)N)N=C2N)Cl)Cl

InChI

InChI=1S/C12H10Cl2N6O/c13-6-2-1-5(3-7(6)14)4-20-9-8(17-12(20)16)10(21)19-11(15)18-9/h1-3H,4H2,(H2,16,17)(H3,15,18,19,21)