methyl 2-[4-[[[1-(pyrimidin-5-ylcarbonylamino)cyclopropyl]carbonylamino]methyl]piperidin-1-yl]-4-thiophen-2-yl-benzoate

Systemtic Name: methyl 2-[4-[[[1-(pyrimidin-5-ylcarbonylamino)cyclopropyl]carbonylamino]methyl]piperidin-1-yl]-4-thiophen-2-yl-benzoate Openeye Name: methyl 2-[4-[[[1-(pyrimidine-5-carbonylamino)cyclopropanecarbonyl]amino]methyl]-1-piperidyl]-4-(2-thienyl)benzoate CAS Name: 2-[4-[[[oxo-[1-[[oxo(5-pyrimidinyl)methyl]amino]cyclopropyl]methyl]amino]methyl]-1-piperidinyl]-4-thiophen-2-ylbenzoic acid methyl ester IUPAC Name: methyl 2-[4-[[[1-(pyrimidine-5-carbonylamino)cyclopropanecarbonyl]amino]methyl]piperidin-1-yl]-4-thiophen-2-ylbenzoate Traditional Name: 2-[4-[[[1-(pyrimidine-5-carbonylamino)cyclopropanecarbonyl]amino]methyl]piperidino]-4-(2-thienyl)benzoic acid methyl ester Formula: C27H29N5O4S MolecularWeight: 519.61526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C2=CC=CS2)N3CCC(CC3)CNC(=O)C4(CC4)NC(=O)C5=CN=CN=C5

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)C2=CC=CS2)N3CCC(CC3)CNC(=O)C4(CC4)NC(=O)C5=CN=CN=C5

InChI

InChI=1S/C27H29N5O4S/c1-36-25(34)21-5-4-19(23-3-2-12-37-23)13-22(21)32-10-6-18(7-11-32)14-30-26(35)27(8-9-27)31-24(33)20-15-28-17-29-16-20/h2-5,12-13,15-18H,6-11,14H2,1H3,(H,30,35)(H,31,33)