propan-2-yl (6R)-6-[4-(4-chloranylbutanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl (6R)-6-[4-(4-chloranylbutanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl (6R)-6-[4-(4-chlorobutanoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-[4-[(4-chloro-1-oxobutyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (6R)-6-[4-(4-chlorobutanoylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-[4-(4-chlorobutanoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C20H26ClN3O3S MolecularWeight: 423.95674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)NC(=O)CCCCl)C(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O3S/c1-12(2)27-19(26)17-13(3)24(4)20(28)23-18(17)14-7-9-15(10-8-14)22-16(25)6-5-11-21/h7-10,12,18H,5-6,11H2,1-4H3,(H,22,25)(H,23,28)/t18-/m1/s1