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

Systemtic Name: 3-methyl-6-[4-[(2-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1H-pyrimidine-2,4-dione Openeye Name: 3-methyl-6-[4-[(2-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1H-pyrimidine-2,4-dione CAS Name: 3-methyl-6-[4-[(2-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1H-pyrimidine-2,4-dione IUPAC Name: 3-methyl-6-[4-[(2-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1H-pyrimidine-2,4-dione Traditional Name: 6-[4-(2-mesylbenzyl)-1,4-diazepan-1-yl]-3-methyl-uracil Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(NC1=O)N2CCCN(CC2)CC3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CN1C(=O)C=C(NC1=O)N2CCCN(CC2)CC3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C18H24N4O4S/c1-20-17(23)12-16(19-18(20)24)22-9-5-8-21(10-11-22)13-14-6-3-4-7-15(14)27(2,25)26/h3-4,6-7,12H,5,8-11,13H2,1-2H3,(H,19,24)