3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCN3C(=O)C4=C(C=CS4)NC3=S

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCN3C(=O)C4=C(C=CS4)NC3=S

InChI

InChI=1S/C18H17N3O2S2/c22-15(20-8-5-12-3-1-2-4-13(12)11-20)6-9-21-17(23)16-14(7-10-25-16)19-18(21)24/h1-4,7,10H,5-6,8-9,11H2,(H,19,24)