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

Systemtic Name: 2-[3-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propyl]isoindoline-1,3-quinone Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H19N3O3S/c1-2-6-12-11-15(22)20-18(19-12)25-10-5-9-21-16(23)13-7-3-4-8-14(13)17(21)24/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,20,22)