7-methoxy-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one

Systemtic Name: 7-methoxy-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one Openeye Name: 7-methoxy-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one CAS Name: 7-methoxy-4-[(2-pyrimidinylthio)methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-(pyrimidin-2-ylsulfanylmethyl)chromen-2-one Traditional Name: 7-methoxy-4-[(2-pyrimidylthio)methyl]coumarin Formula: C15H12N2O3S MolecularWeight: 300.33238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=CC=N3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=CC=N3

InChI

InChI=1S/C15H12N2O3S/c1-19-11-3-4-12-10(7-14(18)20-13(12)8-11)9-21-15-16-5-2-6-17-15/h2-8H,9H2,1H3