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

Systemtic Name: 2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H15N3O3S/c1-2-5-10-8-13(20)18-16(17-10)23-9-19-14(21)11-6-3-4-7-12(11)15(19)22/h3-4,6-8H,2,5,9H2,1H3,(H,17,18,20)