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

Systemtic Name: 2-[4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H21N3O3S/c1-2-7-13-12-16(23)21-19(20-13)26-11-6-5-10-22-17(24)14-8-3-4-9-15(14)18(22)25/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,20,21,23)