2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(6-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(6-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-3-(6-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[[2-(1-azocanyl)-2-oxoethyl]thio]-3-(6-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-3-(6-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[[2-(azocan-1-yl)-2-keto-ethyl]thio]-3-(6-methyl-2-pyridyl)quinazolin-4-one Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCCC4

Isomeric SMILES

CC1=NC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCCC4

InChI

InChI=1S/C23H26N4O2S/c1-17-10-9-13-20(24-17)27-22(29)18-11-5-6-12-19(18)25-23(27)30-16-21(28)26-14-7-3-2-4-8-15-26/h5-6,9-13H,2-4,7-8,14-16H2,1H3