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

Systemtic Name: 7-morpholin-4-ylcarbonyl-3-(phenylmethyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-benzyl-7-(morpholine-4-carbonyl)-2-(4-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 7-[4-morpholinyl(oxo)methyl]-3-(phenylmethyl)-2-(pyridin-4-ylmethylthio)-4-quinazolinone IUPAC Name: 3-benzyl-7-(morpholine-4-carbonyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-benzyl-7-(morpholine-4-carbonyl)-2-(4-pyridylmethylthio)quinazolin-4-one Formula: C26H24N4O3S MolecularWeight: 472.55876

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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)CC5=CC=CC=C5

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=NC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O3S/c31-24(29-12-14-33-15-13-29)21-6-7-22-23(16-21)28-26(34-18-20-8-10-27-11-9-20)30(25(22)32)17-19-4-2-1-3-5-19/h1-11,16H,12-15,17-18H2