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

Systemtic Name: 6-methyl-5-(4-methylphenyl)-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-(p-tolyl)-2-[[4-(3-pyridylsulfonyl)piperazin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(4-methylphenyl)-2-[[4-(3-pyridinylsulfonyl)-1-piperazinyl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(4-methylphenyl)-2-[(4-pyridin-3-ylsulfonylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-methyl-5-(p-tolyl)-2-[[4-(3-pyridylsulfonyl)piperazino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C24H25N5O3S2 MolecularWeight: 495.617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CN4CCN(CC4)S(=O)(=O)C5=CN=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CN4CCN(CC4)S(=O)(=O)C5=CN=CC=C5)C

InChI

InChI=1S/C24H25N5O3S2/c1-16-5-7-18(8-6-16)21-17(2)33-24-22(21)23(30)26-20(27-24)15-28-10-12-29(13-11-28)34(31,32)19-4-3-9-25-14-19/h3-9,14H,10-13,15H2,1-2H3,(H,26,27,30)