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

Systemtic Name: 2-methoxyethyl (6R)-3,4-dimethyl-6-[3-(2-methylpropanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6R)-3,4-dimethyl-6-[3-(2-methylpropanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3,4-dimethyl-6-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6R)-3,4-dimethyl-6-[3-(2-methylpropanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[3-(isobutyrylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C(C)C)C(=O)OCCOC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C(C)C)C(=O)OCCOC

InChI

InChI=1S/C20H27N3O4S/c1-12(2)18(24)21-15-8-6-7-14(11-15)17-16(19(25)27-10-9-26-5)13(3)23(4)20(28)22-17/h6-8,11-12,17H,9-10H2,1-5H3,(H,21,24)(H,22,28)/t17-/m1/s1