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

Systemtic Name: 3-[[6-azanyl-8-(4-carbamimidoylphenyl)-7-methyl-purin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[6-amino-8-(4-carbamimidoylphenyl)-7-methyl-purine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[6-amino-8-(4-carbamimidoylphenyl)-7-methyl-2-purinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[6-amino-8-(4-carbamimidoylphenyl)-7-methylpurine-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[8-(4-amidinophenyl)-6-amino-7-methyl-purine-2-carbonyl]amino]propionic acid Formula: C17H18N8O3 MolecularWeight: 382.37662

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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(=O)NCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H18N8O3/c1-25-11-13(20)22-15(17(28)21-7-6-10(26)27)23-14(11)24-16(25)9-4-2-8(3-5-9)12(18)19/h2-5H,6-7H2,1H3,(H3,18,19)(H,21,28)(H,26,27)(H2,20,22,23)