ethyl (6R)-6-[3-(3,3-dimethylbutanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6R)-6-[3-(3,3-dimethylbutanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-6-[3-(3,3-dimethylbutanoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[3-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-[3-(3,3-dimethylbutanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[3-(3,3-dimethylbutanoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)NC(=O)CC(C)(C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@@H]1C2=CC(=CC=C2)NC(=O)CC(C)(C)C)C)C

InChI

InChI=1S/C21H29N3O3S/c1-7-27-19(26)17-13(2)24(6)20(28)23-18(17)14-9-8-10-15(11-14)22-16(25)12-21(3,4)5/h8-11,18H,7,12H2,1-6H3,(H,22,25)(H,23,28)/t18-/m1/s1