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

Systemtic Name: 2-methylpropyl 6-[4-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[4-[(3-chloro-2,2-dimethyl-propanoyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[(3-chloro-2,2-dimethyl-1-oxopropyl)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-2,2-dimethylpropanoyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(3-chloro-2,2-dimethyl-propanoyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C23H32ClN3O3S MolecularWeight: 466.03648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C(C)(C)CCl)C(=O)OCC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C(C)(C)CCl)C(=O)OCC(C)C)C

InChI

InChI=1S/C23H32ClN3O3S/c1-7-27-15(4)18(20(28)30-12-14(2)3)19(26-22(27)31)16-8-10-17(11-9-16)25-21(29)23(5,6)13-24/h8-11,14,19H,7,12-13H2,1-6H3,(H,25,29)(H,26,31)