2-[(6-methoxy-2-methylsulfanyl-pyrimidin-4-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(6-methoxy-2-methylsulfanyl-pyrimidin-4-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(6-methoxy-2-methylsulfanyl-pyrimidin-4-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[[6-methoxy-2-(methylthio)-4-pyrimidinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[(6-methoxy-2-methylsulfanylpyrimidin-4-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[[6-methoxy-2-(methylthio)pyrimidin-4-yl]methyl]isoindoline-1,3-quinone Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)CN2C(=O)C3=CC=CC=C3C2=O)SC

Isomeric SMILES

COC1=NC(=NC(=C1)CN2C(=O)C3=CC=CC=C3C2=O)SC

InChI

InChI=1S/C15H13N3O3S/c1-21-12-7-9(16-15(17-12)22-2)8-18-13(19)10-5-3-4-6-11(10)14(18)20/h3-7H,8H2,1-2H3