2-methylpropyl 6-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 6-[4-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[4-[(3-chloro-4-fluoro-phenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(3-chloro-4-fluoroanilino)-oxomethyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[4-[(3-chloro-4-fluorophenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(3-chloro-4-fluoro-phenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C25H28ClFN4O3S MolecularWeight: 519.031223

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)OCC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)OCC(C)C)C

InChI

InChI=1S/C25H28ClFN4O3S/c1-5-31-15(4)21(23(32)34-13-14(2)3)22(30-25(31)35)16-6-8-17(9-7-16)28-24(33)29-18-10-11-20(27)19(26)12-18/h6-12,14,22H,5,13H2,1-4H3,(H,30,35)(H2,28,29,33)