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

Systemtic Name: 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(3-methylpiperidin-1-yl)ethanone Openeye Name: 1-(3-methyl-1-piperidyl)-2-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-ethanone CAS Name: 2-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]-1-(3-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(3-methylpiperidin-1-yl)ethanone Traditional Name: 1-(3-methylpiperidino)-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:

CC1CCCN(C1)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H23N3OS2/c1-14-5-7-16(8-6-14)17-11-26-20-19(17)21(23-13-22-20)27-12-18(25)24-9-3-4-15(2)10-24/h5-8,11,13,15H,3-4,9-10,12H2,1-2H3