methyl 3-[2-[8-(4-carbamimidoylphenyl)-6-oxidanylidene-7H-purin-1-yl]ethanoylamino]propanoate

Systemtic Name: methyl 3-[2-[8-(4-carbamimidoylphenyl)-6-oxidanylidene-7H-purin-1-yl]ethanoylamino]propanoate Openeye Name: methyl 3-[[2-[8-(4-carbamimidoylphenyl)-6-oxo-7H-purin-1-yl]acetyl]amino]propanoate CAS Name: 3-[[2-[8-(4-carbamimidoylphenyl)-6-oxo-7H-purin-1-yl]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[8-(4-carbamimidoylphenyl)-6-oxo-7H-purin-1-yl]acetyl]amino]propanoate Traditional Name: 3-[[2-[8-(4-amidinophenyl)-6-keto-7H-purin-1-yl]acetyl]amino]propionic acid methyl ester Formula: C18H19N7O4 MolecularWeight: 397.38796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)CN1C=NC2=C(C1=O)NC(=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCNC(=O)CN1C=NC2=C(C1=O)NC(=N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C18H19N7O4/c1-29-13(27)6-7-21-12(26)8-25-9-22-17-14(18(25)28)23-16(24-17)11-4-2-10(3-5-11)15(19)20/h2-5,9H,6-8H2,1H3,(H3,19,20)(H,21,26)(H,23,24)