N-[2-(2-pyrimidin-2-ylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide

Systemtic Name: N-[2-(2-pyrimidin-2-ylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide Openeye Name: N-[2-(2-pyrimidin-2-ylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]tetrahydrofuran-2-carboxamide CAS Name: N-[2-[1-oxo-2-(2-pyrimidinylthio)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-oxolanecarboxamide IUPAC Name: N-[2-(2-pyrimidin-2-ylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide Traditional Name: N-[2-[2-(2-pyrimidylthio)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]tetrahydrofuran-2-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)NC2=CC3=C(CCN(C3)C(=O)CSC4=NC=CC=N4)C=C2

Isomeric SMILES

C1CC(OC1)C(=O)NC2=CC3=C(CCN(C3)C(=O)CSC4=NC=CC=N4)C=C2

InChI

InChI=1S/C20H22N4O3S/c25-18(13-28-20-21-7-2-8-22-20)24-9-6-14-4-5-16(11-15(14)12-24)23-19(26)17-3-1-10-27-17/h2,4-5,7-8,11,17H,1,3,6,9-10,12-13H2,(H,23,26)