5,6-dimethyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-2-pyridin-3-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 5,6-dimethyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-2-pyridin-3-yl-thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-2-(3-pyridyl)-4-[4-[(E)-styryl]sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-2-(3-pyridinyl)thieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-2-(3-pyridyl)-4-[4-[(E)-styryl]sulfonylpiperazino]thieno[2,3-d]pyrimidine Formula: C25H25N5O2S2 MolecularWeight: 491.6283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4)C5=CN=CC=C5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4)C5=CN=CC=C5)C

InChI

InChI=1S/C25H25N5O2S2/c1-18-19(2)33-25-22(18)24(27-23(28-25)21-9-6-11-26-17-21)29-12-14-30(15-13-29)34(31,32)16-10-20-7-4-3-5-8-20/h3-11,16-17H,12-15H2,1-2H3/b16-10+