3-methyl-1-[(4-methylsulfonylphenyl)methyl]-6-(phenethylamino)pyrimidine-2,4-dione

Systemtic Name: 3-methyl-1-[(4-methylsulfonylphenyl)methyl]-6-(phenethylamino)pyrimidine-2,4-dione Openeye Name: 3-methyl-1-[(4-methylsulfonylphenyl)methyl]-6-(phenethylamino)pyrimidine-2,4-dione CAS Name: 3-methyl-1-[(4-methylsulfonylphenyl)methyl]-6-(phenethylamino)pyrimidine-2,4-dione IUPAC Name: 3-methyl-1-[(4-methylsulfonylphenyl)methyl]-6-(phenethylamino)pyrimidine-2,4-dione Traditional Name: 1-(4-mesylbenzyl)-3-methyl-6-(phenethylamino)pyrimidine-2,4-quinone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N(C1=O)CC2=CC=C(C=C2)S(=O)(=O)C)NCCC3=CC=CC=C3

Isomeric SMILES

CN1C(=O)C=C(N(C1=O)CC2=CC=C(C=C2)S(=O)(=O)C)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4S/c1-23-20(25)14-19(22-13-12-16-6-4-3-5-7-16)24(21(23)26)15-17-8-10-18(11-9-17)29(2,27)28/h3-11,14,22H,12-13,15H2,1-2H3