2-azanyl-9-(2,4-dichlorophenyl)carbonyl-3H-purin-6-one

Systemtic Name: 2-azanyl-9-(2,4-dichlorophenyl)carbonyl-3H-purin-6-one Openeye Name: 2-amino-9-(2,4-dichlorobenzoyl)-3H-purin-6-one CAS Name: 2-amino-9-[(2,4-dichlorophenyl)-oxomethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-(2,4-dichlorobenzoyl)-3H-purin-6-one Traditional Name: 2-amino-9-(2,4-dichlorobenzoyl)-3H-purin-6-one Formula: C12H7Cl2N5O2 MolecularWeight: 324.12228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)C(=O)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C12H7Cl2N5O2/c13-5-1-2-6(7(14)3-5)11(21)19-4-16-8-9(19)17-12(15)18-10(8)20/h1-4H,(H3,15,17,18,20)