6-ethyl-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine

Systemtic Name: 6-ethyl-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-(4-benzylsulfonylpiperazin-1-yl)-6-ethyl-thieno[2,3-d]pyrimidine CAS Name: 6-ethyl-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine Traditional Name: 4-(4-benzylsulfonylpiperazino)-6-ethyl-thieno[2,3-d]pyrimidine Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H22N4O2S2/c1-2-16-12-17-18(20-14-21-19(17)26-16)22-8-10-23(11-9-22)27(24,25)13-15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3