(2S)-N-(furan-2-ylmethyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(furan-2-ylmethyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(2-furylmethyl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2S)-N-(2-furanylmethyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(furan-2-ylmethyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-N-(2-furfuryl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CO1)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C19H21N3O4S/c1-13(17(24)20-12-14-6-4-11-26-14)27-19-21-16-8-3-2-7-15(16)18(25)22(19)9-5-10-23/h2-4,6-8,11,13,23H,5,9-10,12H2,1H3,(H,20,24)/t13-/m0/s1