2-[(2-butan-2-ylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(2-butan-2-ylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)methyl]isoindole-1,3-dione Openeye Name: 2-[(4-oxo-2-sec-butylsulfanyl-1H-pyrimidin-6-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[[2-(butan-2-ylthio)-4-oxo-1H-pyrimidin-6-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[(2-butan-2-ylsulfanyl-4-oxo-1H-pyrimidin-6-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[[4-keto-2-(sec-butylthio)-1H-pyrimidin-6-yl]methyl]isoindoline-1,3-quinone Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C=C(N1)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC(C)SC1=NC(=O)C=C(N1)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H17N3O3S/c1-3-10(2)24-17-18-11(8-14(21)19-17)9-20-15(22)12-6-4-5-7-13(12)16(20)23/h4-8,10H,3,9H2,1-2H3,(H,18,19,21)