3-[2-[(3,4-dichlorophenyl)methylamino]-6-oxidanylidene-3H-purin-9-yl]propanoic acid

Systemtic Name: 3-[2-[(3,4-dichlorophenyl)methylamino]-6-oxidanylidene-3H-purin-9-yl]propanoic acid Openeye Name: 3-[2-[(3,4-dichlorophenyl)methylamino]-6-oxo-3H-purin-9-yl]propanoic acid CAS Name: 3-[2-[(3,4-dichlorophenyl)methylamino]-6-oxo-3H-purin-9-yl]propanoic acid IUPAC Name: 3-[2-[(3,4-dichlorophenyl)methylamino]-6-oxo-3H-purin-9-yl]propanoic acid Traditional Name: 3-[2-[(3,4-dichlorobenzyl)amino]-6-keto-3H-purin-9-yl]propionic acid Formula: C15H13Cl2N5O3 MolecularWeight: 382.20142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=NC(=O)C3=C(N2)N(C=N3)CCC(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CNC2=NC(=O)C3=C(N2)N(C=N3)CCC(=O)O)Cl)Cl

InChI

InChI=1S/C15H13Cl2N5O3/c16-9-2-1-8(5-10(9)17)6-18-15-20-13-12(14(25)21-15)19-7-22(13)4-3-11(23)24/h1-2,5,7H,3-4,6H2,(H,23,24)(H2,18,20,21,25)