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

Systemtic Name: (E)-3-azanyl-2-[2-[4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[[4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]acetyl]but-2-enenitrile Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C20H24N4O3S/c1-13(2)27-10-6-9-24-19(26)15-7-4-5-8-17(15)23-20(24)28-12-18(25)16(11-21)14(3)22/h4-5,7-8,13H,6,9-10,12,22H2,1-3H3/b16-14+