4-[4-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)butanoylamino]benzoic acid

Systemtic Name: 4-[4-(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)butanoylamino]benzoic acid Openeye Name: 4-[4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)butanoylamino]benzoic acid CAS Name: 4-[[4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[4-(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)butanoylamino]benzoic acid Traditional Name: 4-[4-(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)butanoylamino]benzoic acid Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CCCC(=O)NC3=CC=C(C=C3)C(=O)O)NC(=NC2=O)N

Isomeric SMILES

C1NC2=C(N1CCCC(=O)NC3=CC=C(C=C3)C(=O)O)NC(=NC2=O)N

InChI

InChI=1S/C16H18N6O4/c17-16-20-13-12(14(24)21-16)18-8-22(13)7-1-2-11(23)19-10-5-3-9(4-6-10)15(25)26/h3-6,18H,1-2,7-8H2,(H,19,23)(H,25,26)(H3,17,20,21,24)