2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H17N3O3S/c1-2-5-11-10-14(21)19-17(18-11)24-9-8-20-15(22)12-6-3-4-7-13(12)16(20)23/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,18,19,21)