3-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]thieno[2,3-d]pyrimidin-4-one Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C17H17N3O3S2/c21-17-15-6-9-24-16(15)18-12-19(17)8-10-25(22,23)20-7-5-13-3-1-2-4-14(13)11-20/h1-4,6,9,12H,5,7-8,10-11H2