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

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-(2-propan-2-ylphenyl)quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(2-isopropylphenyl)quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-3-(2-propan-2-ylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(2-propan-2-ylphenyl)quinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-3-o-cumenyl-quinazolin-4-one Formula: C26H23N5OS MolecularWeight: 453.55872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC4=NC5=CC=CC=C5C(=N4)N

InChI

InChI=1S/C26H23N5OS/c1-16(2)17-9-5-8-14-22(17)31-25(32)19-11-4-7-13-21(19)29-26(31)33-15-23-28-20-12-6-3-10-18(20)24(27)30-23/h3-14,16H,15H2,1-2H3,(H2,27,28,30)