[1-(4-methoxyphenyl)cyclopentyl]methyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: [1-(4-methoxyphenyl)cyclopentyl]methyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [1-(4-methoxyphenyl)cyclopentyl]methyl 4-(fluoromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(fluoromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [1-(4-methoxyphenyl)cyclopentyl]methyl ester IUPAC Name: [1-(4-methoxyphenyl)cyclopentyl]methyl 4-(fluoromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(fluoromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [1-(4-methoxyphenyl)cyclopentyl]methyl ester Formula: C20H25FN2O3S MolecularWeight: 392.487503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CF)C(=O)OCC2(CCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)CF)C(=O)OCC2(CCCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H25FN2O3S/c1-13-17(16(11-21)23-19(27)22-13)18(24)26-12-20(9-3-4-10-20)14-5-7-15(25-2)8-6-14/h5-8,16H,3-4,9-12H2,1-2H3,(H2,22,23,27)