6-methyl-5-(4-methylphenyl)-2-[[(3-pyrrolidin-1-ylsulfonylphenyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-(4-methylphenyl)-2-[[(3-pyrrolidin-1-ylsulfonylphenyl)amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-(p-tolyl)-2-[(3-pyrrolidin-1-ylsulfonylanilino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(4-methylphenyl)-2-[[3-(1-pyrrolidinylsulfonyl)anilino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(4-methylphenyl)-2-[(3-pyrrolidin-1-ylsulfonylanilino)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-(p-tolyl)-2-[(3-pyrrolidinosulfonylanilino)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)C2=C(SC3=C2C(=O)NC(=N3)CNC4=CC(=CC=C4)S(=O)(=O)N5CCCC5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CNC4=CC(=CC=C4)S(=O)(=O)N5CCCC5)C

InChI

InChI=1S/C25H26N4O3S2/c1-16-8-10-18(11-9-16)22-17(2)33-25-23(22)24(30)27-21(28-25)15-26-19-6-5-7-20(14-19)34(31,32)29-12-3-4-13-29/h5-11,14,26H,3-4,12-13,15H2,1-2H3,(H,27,28,30)