methyl 3-[5-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]pyrimidin-2-yl]propanoate hydrochloride

Systemtic Name: methyl 3-[5-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]pyrimidin-2-yl]propanoate hydrochloride Openeye Name: methyl 3-[5-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]pyrimidin-2-yl]propanoate hydrochloride CAS Name: 3-[5-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]-2-pyrimidinyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[5-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]pyrimidin-2-yl]propanoate hydrochloride Traditional Name: 3-[5-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]pyrimidin-2-yl]propionic acid methyl ester hydrochloride Formula: C20H22ClN5O4 MolecularWeight: 431.87278

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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)OC.Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4.ClH/c1-28-15-11-25(14-5-3-12(4-6-14)19(21)22)20(27)18(15)13-9-23-16(24-10-13)7-8-17(26)29-2;/h3-6,9-10H,7-8,11H2,1-2H3,(H3,21,22);1H