2-[4-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]butyl]isoindoline-1,3-quinone Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H22N4O3S/c1-17-12-13-27-22(16-17)30-25(33)20-10-4-5-11-21(20)28-26(30)34-15-7-6-14-29-23(31)18-8-2-3-9-19(18)24(29)32/h2-5,8-13,16H,6-7,14-15H2,1H3