N-[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]-7-fluoranyl-6-nitro-quinazolin-4-amine hydrochloride

Systemtic Name: N-[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]-7-fluoranyl-6-nitro-quinazolin-4-amine hydrochloride Openeye Name: N-[3-chloro-4-(2-pyridylmethoxy)phenyl]-7-fluoro-6-nitro-quinazolin-4-amine hydrochloride CAS Name: N-[3-chloro-4-(2-pyridinylmethoxy)phenyl]-7-fluoro-6-nitro-4-quinazolinamine hydrochloride IUPAC Name: N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-7-fluoro-6-nitroquinazolin-4-amine hydrochloride Traditional Name: [3-chloro-4-(2-pyridylmethoxy)phenyl]-(7-fluoro-6-nitro-quinazolin-4-yl)amine hydrochloride Formula: C20H14Cl2FN5O3 MolecularWeight: 462.261263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)COC2=C(C=C(C=C2)NC3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])F)Cl.Cl

Isomeric SMILES

C1=CC=NC(=C1)COC2=C(C=C(C=C2)NC3=NC=NC4=CC(=C(C=C43)[N+](=O)[O-])F)Cl.Cl

InChI

InChI=1S/C20H13ClFN5O3.ClH/c21-15-7-12(4-5-19(15)30-10-13-3-1-2-6-23-13)26-20-14-8-18(27(28)29)16(22)9-17(14)24-11-25-20;/h1-9,11H,10H2,(H,24,25,26);1H