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

Systemtic Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]thio]-1-pyrrolidino-ethanone Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)N4CCCC4)C

InChI

InChI=1S/C20H21N3OS2/c1-13-5-6-15(9-14(13)2)16-10-25-19-18(16)20(22-12-21-19)26-11-17(24)23-7-3-4-8-23/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3