4-(pyrimidin-2-ylsulfanylmethyl)-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

Systemtic Name: 4-(pyrimidin-2-ylsulfanylmethyl)-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-(pyrimidin-2-ylsulfanylmethyl)-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[(2-pyrimidinylthio)methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-(pyrimidin-2-ylsulfanylmethyl)-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[(2-pyrimidylthio)methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NC=CC=N4

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)CSC4=NC=CC=N4

InChI

InChI=1S/C17H14N2O2S/c20-16-9-13(10-22-17-18-5-2-6-19-17)14-7-11-3-1-4-12(11)8-15(14)21-16/h2,5-9H,1,3-4,10H2