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

Systemtic Name: methyl 2-[1-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]methyl]piperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]methyl]-4-piperidyl]acetate CAS Name: 2-[1-[[5-(4-carbamimidoylphenyl)-2-pyrimidinyl]methyl]-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[[5-(4-carbamimidoylphenyl)pyrimidin-2-yl]methyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[[5-(4-amidinophenyl)pyrimidin-2-yl]methyl]-4-piperidyl]acetic acid methyl ester Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CCN(CC1)CC2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CC1CCN(CC1)CC2=NC=C(C=N2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H25N5O2/c1-27-19(26)10-14-6-8-25(9-7-14)13-18-23-11-17(12-24-18)15-2-4-16(5-3-15)20(21)22/h2-5,11-12,14H,6-10,13H2,1H3,(H3,21,22)