2-[[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5,6-dimethyl-2-[(phenylthio)methyl]-4-thieno[2,3-d]pyrimidinyl]amino]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5,6-dimethyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidin-4-yl]amino]-1-pyrrolidino-ethanone Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCC(=O)N3CCCC3)CSC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCC(=O)N3CCCC3)CSC4=CC=CC=C4)C

InChI

InChI=1S/C21H24N4OS2/c1-14-15(2)28-21-19(14)20(22-12-18(26)25-10-6-7-11-25)23-17(24-21)13-27-16-8-4-3-5-9-16/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,22,23,24)