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

Systemtic Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-(2-diethylaminoethyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-(2-diethylaminoethyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[4-(cyanomethoxy)phenyl]-3-(2-diethylaminoethyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-[4-(cyanomethoxy)phenyl]-3-(2-diethylaminoethyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[4-(cyanomethoxy)phenyl]-3-(2-diethylaminoethyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)OCC#N)C(=O)OC)C

Isomeric SMILES

CCN(CC)CCN1C(=C([C@H](NC1=S)C2=CC=C(C=C2)OCC#N)C(=O)OC)C

InChI

InChI=1S/C21H28N4O3S/c1-5-24(6-2)12-13-25-15(3)18(20(26)27-4)19(23-21(25)29)16-7-9-17(10-8-16)28-14-11-22/h7-10,19H,5-6,12-14H2,1-4H3,(H,23,29)/t19-/m1/s1