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

Systemtic Name: methyl 3-[[8-(4-carbamimidoylphenyl)-6-chloranyl-9-methyl-purin-2-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[8-(4-carbamimidoylphenyl)-6-chloro-9-methyl-purine-2-carbonyl]amino]propanoate CAS Name: 3-[[[8-(4-carbamimidoylphenyl)-6-chloro-9-methyl-2-purinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[8-(4-carbamimidoylphenyl)-6-chloro-9-methylpurine-2-carbonyl]amino]propanoate Traditional Name: 3-[[8-(4-amidinophenyl)-6-chloro-9-methyl-purine-2-carbonyl]amino]propionic acid methyl ester Formula: C18H18ClN7O3 MolecularWeight: 415.83362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN7O3/c1-26-16(10-5-3-9(4-6-10)14(20)21)23-12-13(19)24-15(25-17(12)26)18(28)22-8-7-11(27)29-2/h3-6H,7-8H2,1-2H3,(H3,20,21)(H,22,28)