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

Systemtic Name: methyl 3-[[6-azanyl-8-(4-carbamimidoylphenyl)-7-methyl-purin-2-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[6-amino-8-(4-carbamimidoylphenyl)-7-methyl-purine-2-carbonyl]amino]propanoate CAS Name: 3-[[[6-amino-8-(4-carbamimidoylphenyl)-7-methyl-2-purinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[6-amino-8-(4-carbamimidoylphenyl)-7-methylpurine-2-carbonyl]amino]propanoate Traditional Name: 3-[[8-(4-amidinophenyl)-6-amino-7-methyl-purine-2-carbonyl]amino]propionic acid methyl ester Formula: C18H20N8O3 MolecularWeight: 396.4032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N8O3/c1-26-12-14(21)23-16(18(28)22-8-7-11(27)29-2)24-15(12)25-17(26)10-5-3-9(4-6-10)13(19)20/h3-6H,7-8H2,1-2H3,(H3,19,20)(H,22,28)(H2,21,23,24)