3-[[8-(4-carbamimidoylphenyl)-9-methyl-purin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[8-(4-carbamimidoylphenyl)-9-methyl-purin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[8-(4-carbamimidoylphenyl)-9-methyl-purine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[8-(4-carbamimidoylphenyl)-9-methyl-2-purinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[8-(4-carbamimidoylphenyl)-9-methylpurine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[8-(4-amidinophenyl)-9-methyl-purine-2-carbonyl]amino]propionic acid Formula: C17H17N7O3 MolecularWeight: 367.36198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)C(=O)NCCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)C(=O)NCCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C17H17N7O3/c1-24-15(10-4-2-9(3-5-10)13(18)19)22-11-8-21-14(23-16(11)24)17(27)20-7-6-12(25)26/h2-5,8H,6-7H2,1H3,(H3,18,19)(H,20,27)(H,25,26)