methyl 2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[1-oxo-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CSC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CSC3=NC=NC4=C3C(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O3S2/c1-31-25(30)20-11-17-9-5-6-10-18(17)12-28(20)21(29)14-33-24-22-19(16-7-3-2-4-8-16)13-32-23(22)26-15-27-24/h2-10,13,15,20H,11-12,14H2,1H3