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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CCOC

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CCOC

InChI

InChI=1S/C21H26N4O3S/c1-15(18(26)24-21(14-22)10-6-3-7-11-21)29-20-23-17-9-5-4-8-16(17)19(27)25(20)12-13-28-2/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3,(H,24,26)/t15-/m1/s1