6-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-[(4-methyl-1-piperidyl)sulfonyl]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]-3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-phenylpiperazino)ethyl]-6-methyl-5-(4-methylpiperidino)sulfonyl-thieno[2,3-d]pyrimidin-4-one Formula: C25H31N5O4S2 MolecularWeight: 529.67474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=C(SC3=C2C(=O)N(C=N3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C25H31N5O4S2/c1-18-8-10-30(11-9-18)36(33,34)23-19(2)35-24-22(23)25(32)29(17-26-24)16-21(31)28-14-12-27(13-15-28)20-6-4-3-5-7-20/h3-7,17-18H,8-16H2,1-2H3