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

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-phenyl-2-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-phenyl-2-[(4-tosyl-1,4-diazepan-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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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)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C25H26N4O3S2/c1-18-8-10-20(11-9-18)34(31,32)29-13-5-12-28(14-15-29)17-23-26-24(30)21-16-22(33-25(21)27-23)19-6-3-2-4-7-19/h2-4,6-11,16H,5,12-15,17H2,1H3,(H,26,27,30)