(E)-3-azanyl-2-[2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]acetyl]but-2-enenitrile Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCCO3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3CCCO3)/N

InChI

InChI=1S/C19H20N4O3S/c1-12(21)15(9-20)17(24)11-27-19-22-16-7-3-2-6-14(16)18(25)23(19)10-13-5-4-8-26-13/h2-3,6-7,13H,4-5,8,10-11,21H2,1H3/b15-12+