3-(3-oxidanylpropyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(3-oxidanylpropyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-(6-phenanthridinylmethylthio)-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-(phenanthridin-6-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-(phenanthridin-6-ylmethylthio)quinazolin-4-one Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2CSC4=NC5=CC=CC=C5C(=O)N4CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3N=C2CSC4=NC5=CC=CC=C5C(=O)N4CCCO

InChI

InChI=1S/C25H21N3O2S/c29-15-7-14-28-24(30)20-11-4-6-13-22(20)27-25(28)31-16-23-19-10-2-1-8-17(19)18-9-3-5-12-21(18)26-23/h1-6,8-13,29H,7,14-16H2