4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidine CAS Name: 4-[4-(1-azepanylsulfonyl)-1-piperazinyl]-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(azepan-1-ylsulfonyl)piperazino]-5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidine Formula: C22H29N5O2S3 MolecularWeight: 491.69296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)C5=CC=CS5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)S(=O)(=O)N4CCCCCC4)C5=CC=CS5)C

InChI

InChI=1S/C22H29N5O2S3/c1-16-17(2)31-22-19(16)21(23-20(24-22)18-8-7-15-30-18)25-11-13-27(14-12-25)32(28,29)26-9-5-3-4-6-10-26/h7-8,15H,3-6,9-14H2,1-2H3