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

Systemtic Name: 3-[[8-(4-carbamimidoylphenyl)-6-methoxy-9-methyl-purin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[8-(4-carbamimidoylphenyl)-6-methoxy-9-methyl-purine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[8-(4-carbamimidoylphenyl)-6-methoxy-9-methyl-2-purinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[8-(4-carbamimidoylphenyl)-6-methoxy-9-methylpurine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[8-(4-amidinophenyl)-6-methoxy-9-methyl-purine-2-carbonyl]amino]propionic acid Formula: C18H19N7O4 MolecularWeight: 397.38796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O4/c1-25-15(10-5-3-9(4-6-10)13(19)20)22-12-16(25)23-14(24-18(12)29-2)17(28)21-8-7-11(26)27/h3-6H,7-8H2,1-2H3,(H3,19,20)(H,21,28)(H,26,27)