3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(methylthio)-4-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-(methylthio)-4-pyrrolidino-thieno[2,3-d]pyrimidin-6-yl]methanone Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2C=C(SC2=N1)C(=O)N3CCC4=CC=CC=C4C3)N5CCCC5

Isomeric SMILES

CSC1=NC(=C2C=C(SC2=N1)C(=O)N3CCC4=CC=CC=C4C3)N5CCCC5

InChI

InChI=1S/C21H22N4OS2/c1-27-21-22-18(24-9-4-5-10-24)16-12-17(28-19(16)23-21)20(26)25-11-8-14-6-2-3-7-15(14)13-25/h2-3,6-7,12H,4-5,8-11,13H2,1H3