methyl 2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]-3-pyrimidin-2-ylsulfanyl-propanoate

Systemtic Name: methyl 2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]-3-pyrimidin-2-ylsulfanyl-propanoate Openeye Name: methyl 2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]-3-pyrimidin-2-ylsulfanyl-propanoate CAS Name: 2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]-3-(2-pyrimidinylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]-3-pyrimidin-2-ylsulfanylpropanoate Traditional Name: 2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]-3-(2-pyrimidylthio)propionic acid methyl ester Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSC1=NC=CC=N1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

Isomeric SMILES

COC(=O)C(CSC1=NC=CC=N1)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4

InChI

InChI=1S/C21H18N6O3S/c1-30-20(29)17(12-31-21-23-7-2-8-24-21)27-19(28)14-3-4-15-16(11-14)26-18(25-15)13-5-9-22-10-6-13/h2-11,17H,12H2,1H3,(H,25,26)(H,27,28)