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

Systemtic Name: methyl 3-[[8-(4-carbamimidoylphenyl)-7-methyl-purin-2-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[8-(4-carbamimidoylphenyl)-7-methyl-purine-2-carbonyl]amino]propanoate CAS Name: 3-[[[8-(4-carbamimidoylphenyl)-7-methyl-2-purinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[8-(4-carbamimidoylphenyl)-7-methylpurine-2-carbonyl]amino]propanoate Traditional Name: 3-[[8-(4-amidinophenyl)-7-methyl-purine-2-carbonyl]amino]propionic acid methyl ester Formula: C18H19N7O3 MolecularWeight: 381.38856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O3/c1-25-12-9-22-16(18(27)21-8-7-13(26)28-2)23-15(12)24-17(25)11-5-3-10(4-6-11)14(19)20/h3-6,9H,7-8H2,1-2H3,(H3,19,20)(H,21,27)