methanol; methyl 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(4-fluorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methanol; methyl 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(4-fluorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methanol; methyl 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester; methanol IUPAC Name: methanol; methyl 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-4-(4-fluorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester; methanol Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

CO.COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)F)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CO.COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)F)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H17FN4O3S.CH4O/c1-28-18(26)16-15(10-29-20-23-13-4-2-3-5-14(13)24-20)22-19(27)25-17(16)11-6-8-12(21)9-7-11;1-2/h2-9,17H,10H2,1H3,(H,23,24)(H2,22,25,27);2H,1H3