1-(azepan-1-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]ethanone Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)N4CCCCCC4

InChI

InChI=1S/C21H23N3OS2/c1-15-6-8-16(9-7-15)17-12-26-20-19(17)21(23-14-22-20)27-13-18(25)24-10-4-2-3-5-11-24/h6-9,12,14H,2-5,10-11,13H2,1H3