6-(azepan-1-yl)-3-methyl-5-[(4-methylsulfonylphenyl)methyl]-1H-pyrimidine-2,4-dione

Systemtic Name: 6-(azepan-1-yl)-3-methyl-5-[(4-methylsulfonylphenyl)methyl]-1H-pyrimidine-2,4-dione Openeye Name: 6-(azepan-1-yl)-3-methyl-5-[(4-methylsulfonylphenyl)methyl]-1H-pyrimidine-2,4-dione CAS Name: 6-(1-azepanyl)-3-methyl-5-[(4-methylsulfonylphenyl)methyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-(azepan-1-yl)-3-methyl-5-[(4-methylsulfonylphenyl)methyl]-1H-pyrimidine-2,4-dione Traditional Name: 6-(azepan-1-yl)-5-(4-mesylbenzyl)-3-methyl-uracil Formula: C19H25N3O4S MolecularWeight: 391.4845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(NC1=O)N2CCCCCC2)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CN1C(=O)C(=C(NC1=O)N2CCCCCC2)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H25N3O4S/c1-21-18(23)16(13-14-7-9-15(10-8-14)27(2,25)26)17(20-19(21)24)22-11-5-3-4-6-12-22/h7-10H,3-6,11-13H2,1-2H3,(H,20,24)