3-[[8-(4-carbamimidoylphenyl)-6-(dimethylamino)-9-methyl-purin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[8-(4-carbamimidoylphenyl)-6-(dimethylamino)-9-methyl-purin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[8-(4-carbamimidoylphenyl)-6-(dimethylamino)-9-methyl-purine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[8-(4-carbamimidoylphenyl)-6-(dimethylamino)-9-methyl-2-purinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[8-(4-carbamimidoylphenyl)-6-(dimethylamino)-9-methylpurine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[8-(4-amidinophenyl)-6-(dimethylamino)-9-methyl-purine-2-carbonyl]amino]propionic acid Formula: C19H22N8O3 MolecularWeight: 410.42978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C(=O)NCCC(=O)O)N(C)C)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C(=O)NCCC(=O)O)N(C)C)N=C1C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H22N8O3/c1-26(2)17-13-18(25-15(24-17)19(30)22-9-8-12(28)29)27(3)16(23-13)11-6-4-10(5-7-11)14(20)21/h4-7H,8-9H2,1-3H3,(H3,20,21)(H,22,30)(H,28,29)