2-[8-(2-azanyl-4-chloranyl-phenyl)-1-methyl-2,6-bis(oxidanylidene)-7H-purin-3-yl]ethanoic acid

Systemtic Name: 2-[8-(2-azanyl-4-chloranyl-phenyl)-1-methyl-2,6-bis(oxidanylidene)-7H-purin-3-yl]ethanoic acid Openeye Name: 2-[8-(2-amino-4-chloro-phenyl)-1-methyl-2,6-dioxo-7H-purin-3-yl]acetic acid CAS Name: 2-[8-(2-amino-4-chlorophenyl)-1-methyl-2,6-dioxo-7H-purin-3-yl]acetic acid IUPAC Name: 2-[8-(2-amino-4-chlorophenyl)-1-methyl-2,6-dioxo-7H-purin-3-yl]acetic acid Traditional Name: 2-[8-(2-amino-4-chloro-phenyl)-2,6-diketo-1-methyl-7H-purin-3-yl]acetic acid Formula: C14H12ClN5O4 MolecularWeight: 349.72918

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2)C3=C(C=C(C=C3)Cl)N)N(C1=O)CC(=O)O

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2)C3=C(C=C(C=C3)Cl)N)N(C1=O)CC(=O)O

InChI

InChI=1S/C14H12ClN5O4/c1-19-13(23)10-12(20(14(19)24)5-9(21)22)18-11(17-10)7-3-2-6(15)4-8(7)16/h2-4H,5,16H2,1H3,(H,17,18)(H,21,22)