2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-3-(4-ethylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-3-(4-ethylphenyl)quinazolin-4-one Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C25H21N5OS/c1-2-16-11-13-17(14-12-16)30-24(31)19-8-4-6-10-21(19)28-25(30)32-15-22-27-20-9-5-3-7-18(20)23(26)29-22/h3-14H,2,15H2,1H3,(H2,26,27,29)