2-[2-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(=NC1)SCCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1(CNC(=NC1)SCCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C16H19N3O2S/c1-16(2)9-17-15(18-10-16)22-8-7-19-13(20)11-5-3-4-6-12(11)14(19)21/h3-6H,7-10H2,1-2H3,(H,17,18)