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

Systemtic Name: 2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-methylsulfonyl-1-piperazinyl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(4-methylsulfonylpiperazin-1-yl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-mesylpiperazino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H20N4O3S2 MolecularWeight: 404.5064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C18H20N4O3S2/c1-27(24,25)22-9-7-21(8-10-22)12-16-19-17(23)14-11-15(26-18(14)20-16)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,19,20,23)