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

Systemtic Name: methyl 3-[[8-(4-carbamimidoylphenyl)-7-methyl-6-oxidanylidene-3H-purin-2-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[8-(4-carbamimidoylphenyl)-7-methyl-6-oxo-3H-purine-2-carbonyl]amino]propanoate CAS Name: 3-[[[8-(4-carbamimidoylphenyl)-7-methyl-6-oxo-3H-purin-2-yl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[8-(4-carbamimidoylphenyl)-7-methyl-6-oxo-3H-purine-2-carbonyl]amino]propanoate Traditional Name: 3-[[8-(4-amidinophenyl)-6-keto-7-methyl-3H-purine-2-carbonyl]amino]propionic acid methyl ester Formula: C18H19N7O4 MolecularWeight: 397.38796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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