N-(1-cyanocyclohexyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H26N4O3S/c1-15(18(27)24-21(14-22)10-5-2-6-11-21)29-20-23-17-9-4-3-8-16(17)19(28)25(20)12-7-13-26/h3-4,8-9,15,26H,2,5-7,10-13H2,1H3,(H,24,27)