3-[2-(4-ethylpiperazin-1-yl)-2-oxidanylidene-ethyl]-6-methyl-5-(4-pyrimidin-2-ylpiperazin-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-pyrimidin-2-ylpiperazin-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-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(4-ethyl-1-piperazinyl)-2-oxoethyl]-6-methyl-5-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-methyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(4-ethylpiperazino)-2-keto-ethyl]-6-methyl-5-[4-(2-pyrimidyl)piperazino]sulfonyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H30N8O4S2 MolecularWeight: 546.6655

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)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCN1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)S(=O)(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H30N8O4S2/c1-3-27-7-9-28(10-8-27)18(32)15-30-16-26-21-19(22(30)33)20(17(2)36-21)37(34,35)31-13-11-29(12-14-31)23-24-5-4-6-25-23/h4-6,16H,3,7-15H2,1-2H3