2-[(3,4-dichlorophenyl)methylamino]-3,7-dihydropurin-6-one

Systemtic Name: 2-[(3,4-dichlorophenyl)methylamino]-3,7-dihydropurin-6-one Openeye Name: 2-[(3,4-dichlorophenyl)methylamino]-3,7-dihydropurin-6-one CAS Name: 2-[(3,4-dichlorophenyl)methylamino]-3,7-dihydropurin-6-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylamino]-3,7-dihydropurin-6-one Traditional Name: 2-[(3,4-dichlorobenzyl)amino]-3,7-dihydropurin-6-one Formula: C12H9Cl2N5O MolecularWeight: 310.13876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=NC(=O)C3=C(N2)N=CN3)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CNC2=NC(=O)C3=C(N2)N=CN3)Cl)Cl

InChI

InChI=1S/C12H9Cl2N5O/c13-7-2-1-6(3-8(7)14)4-15-12-18-10-9(11(20)19-12)16-5-17-10/h1-3,5H,4H2,(H3,15,16,17,18,19,20)