6-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-5-methyl-3-(phenylmethyl)-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-5-methyl-3-(phenylmethyl)-1H-pyrimidine-2,4-dione Openeye Name: 3-benzyl-6-[4-(4-bromophenyl)-4-oxo-butyl]sulfanyl-5-methyl-1H-pyrimidine-2,4-dione CAS Name: 6-[[4-(4-bromophenyl)-4-oxobutyl]thio]-5-methyl-3-(phenylmethyl)-1H-pyrimidine-2,4-dione IUPAC Name: 3-benzyl-6-[4-(4-bromophenyl)-4-oxobutyl]sulfanyl-5-methyl-1H-pyrimidine-2,4-dione Traditional Name: 3-benzyl-6-[[4-(4-bromophenyl)-4-keto-butyl]thio]-5-methyl-uracil Formula: C22H21BrN2O3S MolecularWeight: 473.38274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=O)N(C1=O)CC2=CC=CC=C2)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(NC(=O)N(C1=O)CC2=CC=CC=C2)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H21BrN2O3S/c1-15-20(29-13-5-8-19(26)17-9-11-18(23)12-10-17)24-22(28)25(21(15)27)14-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,24,28)