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

Systemtic Name: methyl 6-[3-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-[3-[(3-chloro-2,2-dimethyl-propanoyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[(3-chloro-2,2-dimethyl-1-oxopropyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[3-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(3-chloro-2,2-dimethyl-propanoyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H26ClN3O3S MolecularWeight: 423.95674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O3S/c1-6-24-12(2)15(17(25)27-5)16(23-19(24)28)13-8-7-9-14(10-13)22-18(26)20(3,4)11-21/h7-10,16H,6,11H2,1-5H3,(H,22,26)(H,23,28)