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

Systemtic Name: 2-[2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-amino-6-methyl-2-pyrimidinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-amino-6-methylpyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCN2C(=O)C3=CC=CC=C3C2=O)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCCN2C(=O)C3=CC=CC=C3C2=O)N

InChI

InChI=1S/C15H14N4O2S/c1-9-8-12(16)18-15(17-9)22-7-6-19-13(20)10-4-2-3-5-11(10)14(19)21/h2-5,8H,6-7H2,1H3,(H2,16,17,18)