(2R)-N-cyclopentyl-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-cyclopentyl-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-cyclopentyl-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-cyclopentyl-2-[[3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-cyclopentyl-2-[3-(3-morpholin-4-ium-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-cyclopentyl-2-[[4-keto-3-(3-morpholin-4-ium-4-ylpropyl)quinazolin-2-yl]thio]propionamide Formula: C23H33N4O3S+ MolecularWeight: 445.59812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)SC2=NC3=CC=CC=C3C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C23H32N4O3S/c1-17(21(28)24-18-7-2-3-8-18)31-23-25-20-10-5-4-9-19(20)22(29)27(23)12-6-11-26-13-15-30-16-14-26/h4-5,9-10,17-18H,2-3,6-8,11-16H2,1H3,(H,24,28)/p+1/t17-/m1/s1