3-[[8-(4-carbamimidoylphenyl)-7-methyl-6-oxidanylidene-3H-purin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[8-(4-carbamimidoylphenyl)-7-methyl-6-oxidanylidene-3H-purin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[8-(4-carbamimidoylphenyl)-7-methyl-6-oxo-3H-purine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[8-(4-carbamimidoylphenyl)-7-methyl-6-oxo-3H-purin-2-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[8-(4-carbamimidoylphenyl)-7-methyl-6-oxo-3H-purine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[8-(4-amidinophenyl)-6-keto-7-methyl-3H-purine-2-carbonyl]amino]propionic acid Formula: C17H17N7O4 MolecularWeight: 383.36138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC(=NC2=O)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(NC(=NC2=O)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C17H17N7O4/c1-24-11-13(22-15(24)9-4-2-8(3-5-9)12(18)19)21-14(23-16(11)27)17(28)20-7-6-10(25)26/h2-5H,6-7H2,1H3,(H3,18,19)(H,20,28)(H,25,26)(H,21,23,27)