5-[(6,7-dimethoxy-5-nitro-quinazolin-4-yl)amino]-2-methyl-phenol hydrochloride

Systemtic Name: 5-[(6,7-dimethoxy-5-nitro-quinazolin-4-yl)amino]-2-methyl-phenol hydrochloride Openeye Name: 5-[(6,7-dimethoxy-5-nitro-quinazolin-4-yl)amino]-2-methyl-phenol hydrochloride CAS Name: 5-[(6,7-dimethoxy-5-nitro-4-quinazolinyl)amino]-2-methylphenol hydrochloride IUPAC Name: 5-[(6,7-dimethoxy-5-nitroquinazolin-4-yl)amino]-2-methylphenol hydrochloride Traditional Name: 5-[(6,7-dimethoxy-5-nitro-quinazolin-4-yl)amino]-2-methyl-phenol hydrochloride Formula: C17H17ClN4O5 MolecularWeight: 392.79368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=NC3=CC(=C(C(=C32)[N+](=O)[O-])OC)OC)O.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=NC3=CC(=C(C(=C32)[N+](=O)[O-])OC)OC)O.Cl

InChI

InChI=1S/C17H16N4O5.ClH/c1-9-4-5-10(6-12(9)22)20-17-14-11(18-8-19-17)7-13(25-2)16(26-3)15(14)21(23)24;/h4-8,22H,1-3H3,(H,18,19,20);1H