2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-3-(3,5-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-3-(3,5-dimethylphenyl)quinazolin-4-one Formula: C25H21N5OS MolecularWeight: 439.53214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N)C

InChI

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