4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylthio)-5-pyrimidinecarboxylate IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylthio)pyrimidine-5-carboxylate Formula: C15H14N3O2S- MolecularWeight: 300.35556

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)N2CCC3=CC=CC=C3C2)C(=O)[O-]

Isomeric SMILES

CSC1=NC=C(C(=N1)N2CCC3=CC=CC=C3C2)C(=O)[O-]

InChI

InChI=1S/C15H15N3O2S/c1-21-15-16-8-12(14(19)20)13(17-15)18-7-6-10-4-2-3-5-11(10)9-18/h2-5,8H,6-7,9H2,1H3,(H,19,20)/p-1