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

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine CAS Name: 4-[4-(1-azepanylsulfonyl)-1-piperazinyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine Traditional Name: 4-[4-(azepan-1-ylsulfonyl)piperazino]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine Formula: C23H29N5O3S2 MolecularWeight: 487.63806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCN(CC4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C23H29N5O3S2/c1-31-19-8-6-18(7-9-19)20-16-32-23-21(20)22(24-17-25-23)26-12-14-28(15-13-26)33(29,30)27-10-4-2-3-5-11-27/h6-9,16-17H,2-5,10-15H2,1H3