methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-cyclopentyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-cyclopentyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-cyclopentyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[4-(cyanomethoxy)phenyl]-3-cyclopentyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-cyclopentyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[4-(cyanomethoxy)phenyl]-3-cyclopentyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CCCC2)C3=CC=C(C=C3)OCC#N)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C2CCCC2)C3=CC=C(C=C3)OCC#N)C(=O)OC

InChI

InChI=1S/C20H23N3O3S/c1-13-17(19(24)25-2)18(14-7-9-16(10-8-14)26-12-11-21)22-20(27)23(13)15-5-3-4-6-15/h7-10,15,18H,3-6,12H2,1-2H3,(H,22,27)/t18-/m1/s1