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

Systemtic Name: methyl 2-[1-[5-(5-carbamimidoylpyridin-2-yl)pyrimidin-2-yl]carbonylpiperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-[5-(5-carbamimidoyl-2-pyridyl)pyrimidine-2-carbonyl]-4-piperidyl]acetate CAS Name: 2-[1-[[5-(5-carbamimidoyl-2-pyridinyl)-2-pyrimidinyl]-oxomethyl]-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[5-(5-carbamimidoylpyridin-2-yl)pyrimidine-2-carbonyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[5-(5-amidino-2-pyridyl)pyrimidine-2-carbonyl]-4-piperidyl]acetic acid methyl ester Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCN(CC1)C(=O)C2=NC=C(C=N2)C3=NC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CC1CCN(CC1)C(=O)C2=NC=C(C=N2)C3=NC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H22N6O3/c1-28-16(26)8-12-4-6-25(7-5-12)19(27)18-23-10-14(11-24-18)15-3-2-13(9-22-15)17(20)21/h2-3,9-12H,4-8H2,1H3,(H3,20,21)