3-(5-azanyl-2-methyl-phenyl)-6-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-one

Systemtic Name: 3-(5-azanyl-2-methyl-phenyl)-6-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-one Openeye Name: 3-(5-amino-2-methyl-phenyl)-6-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-one CAS Name: 3-(5-amino-2-methylphenyl)-6-(4-methyl-1,4-diazepan-1-yl)-4-quinazolinone IUPAC Name: 3-(5-amino-2-methylphenyl)-6-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-one Traditional Name: 3-(5-amino-2-methyl-phenyl)-6-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-one Formula: C21H25N5O MolecularWeight: 363.4561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)N2C=NC3=C(C2=O)C=C(C=C3)N4CCCN(CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N)N2C=NC3=C(C2=O)C=C(C=C3)N4CCCN(CC4)C

InChI

InChI=1S/C21H25N5O/c1-15-4-5-16(22)12-20(15)26-14-23-19-7-6-17(13-18(19)21(26)27)25-9-3-8-24(2)10-11-25/h4-7,12-14H,3,8-11,22H2,1-2H3