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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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