(2S)-N-(ethylcarbamoyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(ethylcarbamoyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(ethylcarbamoyl)-2-[3-(3-morpholinopropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-(ethylcarbamoyl)-2-[[3-[3-(4-morpholinyl)propyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(ethylcarbamoyl)-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(ethylcarbamoyl)-2-[[4-keto-3-(3-morpholinopropyl)quinazolin-2-yl]thio]propionamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CCCN3CCOCC3

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C)SC1=NC2=CC=CC=C2C(=O)N1CCCN3CCOCC3

InChI

InChI=1S/C21H29N5O4S/c1-3-22-20(29)24-18(27)15(2)31-21-23-17-8-5-4-7-16(17)19(28)26(21)10-6-9-25-11-13-30-14-12-25/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H2,22,24,27,29)/t15-/m0/s1