N-(6-methylheptan-2-yl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-methylheptan-2-yl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,5-dimethylhexyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(6-methylheptan-2-yl)acetamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide Traditional Name: N-(1,5-dimethylhexyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCO

Isomeric SMILES

CC(C)CCCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCO

InChI

InChI=1S/C21H31N3O3S/c1-15(2)8-6-9-16(3)22-19(26)14-28-21-23-18-11-5-4-10-17(18)20(27)24(21)12-7-13-25/h4-5,10-11,15-16,25H,6-9,12-14H2,1-3H3,(H,22,26)