1,3-dimethyl-5-(4-methylphenyl)sulfonyl-6,9-dihydropyrimido[5,4-b]azepine-2,4-dione

Systemtic Name: 1,3-dimethyl-5-(4-methylphenyl)sulfonyl-6,9-dihydropyrimido[5,4-b]azepine-2,4-dione Openeye Name: 1,3-dimethyl-5-(p-tolylsulfonyl)-6,9-dihydropyrimido[5,4-b]azepine-2,4-dione CAS Name: 1,3-dimethyl-5-(4-methylphenyl)sulfonyl-6,9-dihydropyrimido[5,4-b]azepine-2,4-dione IUPAC Name: 1,3-dimethyl-5-(4-methylphenyl)sulfonyl-6,9-dihydropyrimido[5,4-b]azepine-2,4-dione Traditional Name: 1,3-dimethyl-5-tosyl-6,9-dihydropyrimid[5,4-b]azepine-2,4-quinone Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC=CCC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H19N3O4S/c1-12-7-9-13(10-8-12)25(23,24)20-11-5-4-6-14-15(20)16(21)19(3)17(22)18(14)2/h4-5,7-10H,6,11H2,1-3H3