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

Systemtic Name: 3-[8-(2-azanyl-4-chloranyl-phenyl)-1-methyl-2,6-bis(oxidanylidene)-7H-purin-3-yl]propanoic acid Openeye Name: 3-[8-(2-amino-4-chloro-phenyl)-1-methyl-2,6-dioxo-7H-purin-3-yl]propanoic acid CAS Name: 3-[8-(2-amino-4-chlorophenyl)-1-methyl-2,6-dioxo-7H-purin-3-yl]propanoic acid IUPAC Name: 3-[8-(2-amino-4-chlorophenyl)-1-methyl-2,6-dioxo-7H-purin-3-yl]propanoic acid Traditional Name: 3-[8-(2-amino-4-chloro-phenyl)-2,6-diketo-1-methyl-7H-purin-3-yl]propionic acid Formula: C15H14ClN5O4 MolecularWeight: 363.75576

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN5O4/c1-20-14(24)11-13(21(15(20)25)5-4-10(22)23)19-12(18-11)8-3-2-7(16)6-9(8)17/h2-3,6H,4-5,17H2,1H3,(H,18,19)(H,22,23)