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

Systemtic Name: 7-morpholin-4-ylcarbonyl-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 7-(morpholine-4-carbonyl)-3-phenyl-2-(4-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 7-[4-morpholinyl(oxo)methyl]-3-phenyl-2-(pyridin-4-ylmethylthio)-4-quinazolinone IUPAC Name: 7-(morpholine-4-carbonyl)-3-phenyl-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 7-(morpholine-4-carbonyl)-3-phenyl-2-(4-pyridylmethylthio)quinazolin-4-one Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N4O3S/c30-23(28-12-14-32-15-13-28)19-6-7-21-22(16-19)27-25(33-17-18-8-10-26-11-9-18)29(24(21)31)20-4-2-1-3-5-20/h1-11,16H,12-15,17H2