2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-6-propyl-pyrimidin-4-olate Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]-6-propyl-pyrimidin-4-olate CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)propylthio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-6-propylpyrimidin-4-olate Traditional Name: 2-(3-phthalimidopropylthio)-6-propyl-pyrimidin-4-olate Formula: C18H18N3O3S- MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCCCN2C(=O)C3=CC=CC=C3C2=O)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCCCN2C(=O)C3=CC=CC=C3C2=O)[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)/p-1