7-morpholin-4-ylcarbonyl-3-phenethyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 7-morpholin-4-ylcarbonyl-3-phenethyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 7-(morpholine-4-carbonyl)-3-phenethyl-2-(2-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 7-[4-morpholinyl(oxo)methyl]-3-phenethyl-2-(2-pyridinylmethylthio)-4-quinazolinone IUPAC Name: 7-(morpholine-4-carbonyl)-3-phenethyl-2-(pyridin-2-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 7-(morpholine-4-carbonyl)-3-phenethyl-2-(2-pyridylmethylthio)quinazolin-4-one Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=N4)CCC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=CC=N4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3S/c32-25(30-14-16-34-17-15-30)21-9-10-23-24(18-21)29-27(35-19-22-8-4-5-12-28-22)31(26(23)33)13-11-20-6-2-1-3-7-20/h1-10,12,18H,11,13-17,19H2