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

Systemtic Name: (E)-3-azanyl-2-[2-[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-[[3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[[3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]acetyl]but-2-enenitrile Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C19H22N4O3S/c1-3-26-10-6-9-23-18(25)14-7-4-5-8-16(14)22-19(23)27-12-17(24)15(11-20)13(2)21/h4-5,7-8H,3,6,9-10,12,21H2,1-2H3/b15-13+