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

Systemtic Name: methyl 2-[1-[2-(4-carbamimidoylphenyl)pyrimidin-5-yl]carbonylpiperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]-4-piperidyl]acetate CAS Name: 2-[1-[[2-(4-carbamimidoylphenyl)-5-pyrimidinyl]-oxomethyl]-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[2-(4-amidinophenyl)pyrimidine-5-carbonyl]-4-piperidyl]acetic acid methyl ester Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3/c1-28-17(26)10-13-6-8-25(9-7-13)20(27)16-11-23-19(24-12-16)15-4-2-14(3-5-15)18(21)22/h2-5,11-13H,6-10H2,1H3,(H3,21,22)