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

Systemtic Name: 2-methoxyethyl (6R)-6-[3-(cyclobutylcarbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (6R)-6-[3-(cyclobutanecarbonylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[3-[[cyclobutyl(oxo)methyl]amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (6R)-6-[3-(cyclobutanecarbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[3-(cyclobutanecarbonylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C3CCC3)C(=O)OCCOC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C3CCC3)C(=O)OCCOC

InChI

InChI=1S/C21H27N3O4S/c1-13-17(20(26)28-11-10-27-3)18(23-21(29)24(13)2)15-8-5-9-16(12-15)22-19(25)14-6-4-7-14/h5,8-9,12,14,18H,4,6-7,10-11H2,1-3H3,(H,22,25)(H,23,29)/t18-/m1/s1