methyl 2-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperidin-4-ylidene]ethanoate

Systemtic Name: methyl 2-[1-[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]carbonylpiperidin-4-ylidene]ethanoate Openeye Name: methyl 2-[1-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]-4-piperidylidene]acetate CAS Name: 2-[1-[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]-oxomethyl]-4-piperidinylidene]acetic acid methyl ester IUPAC Name: methyl 2-[1-[5-(4-carbamimidoylphenyl)pyrimidine-2-carbonyl]piperidin-4-ylidene]acetate Traditional Name: 2-[1-[5-(4-amidinophenyl)pyrimidine-2-carbonyl]-4-piperidylidene]acetic acid methyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1CCN(CC1)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)C=C1CCN(CC1)C(=O)C2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H21N5O3/c1-28-17(26)10-13-6-8-25(9-7-13)20(27)19-23-11-16(12-24-19)14-2-4-15(5-3-14)18(21)22/h2-5,10-12H,6-9H2,1H3,(H3,21,22)