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

Systemtic Name: 3-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethyl]-6-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-6-methyl-5-[(4-methyl-1-piperidyl)sulfonyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]-6-methyl-5-[(4-methyl-1-piperidinyl)sulfonyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-methyl-5-(4-methylpiperidin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-ethylpiperazino)-2-keto-ethyl]-6-methyl-5-(4-methylpiperidino)sulfonyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H31N5O4S2 MolecularWeight: 481.63194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCC(CC4)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCC(CC4)C

InChI

InChI=1S/C21H31N5O4S2/c1-4-23-9-11-24(12-10-23)17(27)13-25-14-22-20-18(21(25)28)19(16(3)31-20)32(29,30)26-7-5-15(2)6-8-26/h14-15H,4-13H2,1-3H3