3-[5-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]pyrimidin-2-yl]propanoic acid

Systemtic Name: 3-[5-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]pyrimidin-2-yl]propanoic acid Openeye Name: 3-[5-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]pyrimidin-2-yl]propanoic acid CAS Name: 3-[5-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]-2-pyrimidinyl]propanoic acid IUPAC Name: 3-[5-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]pyrimidin-2-yl]propanoic acid Traditional Name: 3-[5-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]pyrimidin-2-yl]propionic acid Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CN=C(N=C3)CCC(=O)O

Isomeric SMILES

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CN=C(N=C3)CCC(=O)O

InChI

InChI=1S/C19H19N5O4/c1-28-14-10-24(13-4-2-11(3-5-13)18(20)21)19(27)17(14)12-8-22-15(23-9-12)6-7-16(25)26/h2-5,8-9H,6-7,10H2,1H3,(H3,20,21)(H,25,26)