(E)-3-azanyl-2-[2-[6-bromanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-[6-bromanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[6-bromo-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[6-bromo-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[6-bromo-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[6-bromo-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetyl]but-2-enenitrile Formula: C19H15BrN4O3S MolecularWeight: 459.3164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC3=CC=CO3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC3=CC=CO3)/N

InChI

InChI=1S/C19H15BrN4O3S/c1-11(22)15(8-21)17(25)10-28-19-23-16-5-4-12(20)7-14(16)18(26)24(19)9-13-3-2-6-27-13/h2-7H,9-10,22H2,1H3/b15-11+