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

Systemtic Name: methyl 2-[1-[5-(4-carbamimidoyl-2-methyl-phenyl)pyrimidin-2-yl]carbonylpiperidin-4-yl]ethanoate Openeye Name: methyl 2-[1-[5-(4-carbamimidoyl-2-methyl-phenyl)pyrimidine-2-carbonyl]-4-piperidyl]acetate CAS Name: 2-[1-[[5-(4-carbamimidoyl-2-methylphenyl)-2-pyrimidinyl]-oxomethyl]-4-piperidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[5-(4-carbamimidoyl-2-methylphenyl)pyrimidine-2-carbonyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[5-(4-amidino-2-methyl-phenyl)pyrimidine-2-carbonyl]-4-piperidyl]acetic acid methyl ester Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)C2=CN=C(N=C2)C(=O)N3CCC(CC3)CC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)C2=CN=C(N=C2)C(=O)N3CCC(CC3)CC(=O)OC

InChI

InChI=1S/C21H25N5O3/c1-13-9-15(19(22)23)3-4-17(13)16-11-24-20(25-12-16)21(28)26-7-5-14(6-8-26)10-18(27)29-2/h3-4,9,11-12,14H,5-8,10H2,1-2H3,(H3,22,23)