6-ethanoyl-5-methyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-ethanoyl-5-methyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-acetyl-5-methyl-2-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-acetyl-5-methyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-acetyl-5-methyl-2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-acetyl-5-methyl-2-[(4-tosyl-1,4-diazepan-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H26N4O4S2 MolecularWeight: 474.59624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC4=C(C(=C(S4)C(=O)C)C)C(=O)N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC4=C(C(=C(S4)C(=O)C)C)C(=O)N3

InChI

InChI=1S/C22H26N4O4S2/c1-14-5-7-17(8-6-14)32(29,30)26-10-4-9-25(11-12-26)13-18-23-21(28)19-15(2)20(16(3)27)31-22(19)24-18/h5-8H,4,9-13H2,1-3H3,(H,23,24,28)