2,6-dimethyl-4-[[(6-nitroquinazolin-2-yl)amino]methyl]phenol

Systemtic Name: 2,6-dimethyl-4-[[(6-nitroquinazolin-2-yl)amino]methyl]phenol Openeye Name: 2,6-dimethyl-4-[[(6-nitroquinazolin-2-yl)amino]methyl]phenol CAS Name: 2,6-dimethyl-4-[[(6-nitro-2-quinazolinyl)amino]methyl]phenol IUPAC Name: 2,6-dimethyl-4-[[(6-nitroquinazolin-2-yl)amino]methyl]phenol Traditional Name: 2,6-dimethyl-4-[[(6-nitroquinazolin-2-yl)amino]methyl]phenol Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC2=NC=C3C=C(C=CC3=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC2=NC=C3C=C(C=CC3=N2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3/c1-10-5-12(6-11(2)16(10)22)8-18-17-19-9-13-7-14(21(23)24)3-4-15(13)20-17/h3-7,9,22H,8H2,1-2H3,(H,18,19,20)