(2S)-N-(cyclopropylcarbamoyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(cyclopropylcarbamoyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(cyclopropylcarbamoyl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2S)-N-[(cyclopropylamino)-oxomethyl]-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(cyclopropylcarbamoyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2S)-N-(cyclopropylcarbamoyl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]propionamide Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)SC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC1CC1)SC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

InChI

InChI=1S/C20H25N5O3S/c1-13(18(26)24-20(27)21-14-6-7-14)29-19-15-4-2-3-5-16(15)22-17(23-19)12-25-8-10-28-11-9-25/h2-5,13-14H,6-12H2,1H3,(H2,21,24,26,27)/t13-/m0/s1