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

Systemtic Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]-1-piperidino-ethanone Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)N4CCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)N4CCCCC4)C

InChI

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