propan-2-yl (6R)-3-ethyl-4-methyl-6-[4-(2-methylpropanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl (6R)-3-ethyl-4-methyl-6-[4-(2-methylpropanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl (6R)-3-ethyl-4-methyl-6-[4-(2-methylpropanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-ethyl-4-methyl-6-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (6R)-3-ethyl-4-methyl-6-[4-(2-methylpropanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-ethyl-6-[4-(isobutyrylamino)phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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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)C(=O)OC(C)C)C

Isomeric SMILES

CCN1C(=C([C@H](NC1=S)C2=CC=C(C=C2)NC(=O)C(C)C)C(=O)OC(C)C)C

InChI

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