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

Systemtic Name: methyl 3-[[8-(4-carbamimidoylphenyl)-6-(dimethylamino)-7-methyl-purin-2-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[8-(4-carbamimidoylphenyl)-6-(dimethylamino)-7-methyl-purine-2-carbonyl]amino]propanoate CAS Name: 3-[[[8-(4-carbamimidoylphenyl)-6-(dimethylamino)-7-methyl-2-purinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[8-(4-carbamimidoylphenyl)-6-(dimethylamino)-7-methylpurine-2-carbonyl]amino]propanoate Traditional Name: 3-[[8-(4-amidinophenyl)-6-(dimethylamino)-7-methyl-purine-2-carbonyl]amino]propionic acid methyl ester Formula: C20H24N8O3 MolecularWeight: 424.45636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(C=C3)C(=N)N)N=C(N=C2N(C)C)C(=O)NCCC(=O)OC

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)C(=N)N)N=C(N=C2N(C)C)C(=O)NCCC(=O)OC

InChI

InChI=1S/C20H24N8O3/c1-27(2)19-14-16(24-17(26-19)20(30)23-10-9-13(29)31-4)25-18(28(14)3)12-7-5-11(6-8-12)15(21)22/h5-8H,9-10H2,1-4H3,(H3,21,22)(H,23,30)