(2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2S)-N-(1-cyanocyclohexyl)-N-methyl-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]propionamide Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)SC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

Isomeric SMILES

C[C@@H](C(=O)N(C)C1(CCCCC1)C#N)SC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

InChI

InChI=1S/C24H31N5O2S/c1-18(23(30)28(2)24(17-25)10-6-3-7-11-24)32-22-19-8-4-5-9-20(19)26-21(27-22)16-29-12-14-31-15-13-29/h4-5,8-9,18H,3,6-7,10-16H2,1-2H3/t18-/m0/s1