2-(7-morpholin-4-ylcarbonyl-4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(7-morpholin-4-ylcarbonyl-4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanylethanenitrile Openeye Name: 2-[7-(morpholine-4-carbonyl)-4-oxo-3-phenethyl-quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[7-[4-morpholinyl(oxo)methyl]-4-oxo-3-phenethyl-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[7-(morpholine-4-carbonyl)-4-oxo-3-phenethylquinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-7-(morpholine-4-carbonyl)-3-phenethyl-quinazolin-2-yl]thio]acetonitrile Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC#N)CCC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3S/c24-9-15-31-23-25-20-16-18(21(28)26-11-13-30-14-12-26)6-7-19(20)22(29)27(23)10-8-17-4-2-1-3-5-17/h1-7,16H,8,10-15H2