methyl 2-[1-[[2-(4-carbamimidoylphenyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbonyl]piperidin-4-yl]ethanoate

Systemtic Name: methyl 2-[1-[[2-(4-carbamimidoylphenyl)-6-oxidanylidene-1H-pyrimidin-5-yl]carbonyl]piperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-[2-(4-carbamimidoylphenyl)-6-oxo-1H-pyrimidine-5-carbonyl]-4-piperidyl]acetate CAS Name: 2-[1-[[2-(4-carbamimidoylphenyl)-6-oxo-1H-pyrimidin-5-yl]-oxomethyl]-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[2-(4-carbamimidoylphenyl)-6-oxo-1H-pyrimidine-5-carbonyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[2-(4-amidinophenyl)-6-keto-1H-pyrimidine-5-carbonyl]-4-piperidyl]acetic acid methyl ester Formula: C20H23N5O4 MolecularWeight: 397.42772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCN(CC1)C(=O)C2=CN=C(NC2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CC1CCN(CC1)C(=O)C2=CN=C(NC2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H23N5O4/c1-29-16(26)10-12-6-8-25(9-7-12)20(28)15-11-23-18(24-19(15)27)14-4-2-13(3-5-14)17(21)22/h2-5,11-12H,6-10H2,1H3,(H3,21,22)(H,23,24,27)