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

Systemtic Name: methyl 3-[[8-(4-carbamimidoylphenyl)-6-methoxy-9-methyl-purin-2-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[8-(4-carbamimidoylphenyl)-6-methoxy-9-methyl-purine-2-carbonyl]amino]propanoate CAS Name: 3-[[[8-(4-carbamimidoylphenyl)-6-methoxy-9-methyl-2-purinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[8-(4-carbamimidoylphenyl)-6-methoxy-9-methylpurine-2-carbonyl]amino]propanoate Traditional Name: 3-[[8-(4-amidinophenyl)-6-methoxy-9-methyl-purine-2-carbonyl]amino]propionic acid methyl ester Formula: C19H21N7O4 MolecularWeight: 411.41454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N7O4/c1-26-16(11-6-4-10(5-7-11)14(20)21)23-13-17(26)24-15(25-19(13)30-3)18(28)22-9-8-12(27)29-2/h4-7H,8-9H2,1-3H3,(H3,20,21)(H,22,28)