N-(3-chloranyl-4-fluoranyl-phenyl)-1,4,4a,8a-tetrahydroquinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1,4,4a,8a-tetrahydroquinazolin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1,4,4a,8a-tetrahydroquinazolin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-1,4,4a,8a-tetrahydroquinazolin-4-amine IUPAC Name: N-(3-chloro-4-fluorophenyl)-1,4,4a,8a-tetrahydroquinazolin-4-amine Traditional Name: 1,4,4a,8a-tetrahydroquinazolin-4-yl-(3-chloro-4-fluoro-phenyl)amine Formula: C14H13ClFN3 MolecularWeight: 277.724523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(C=C1)NC=NC2NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1=CC2C(C=C1)NC=NC2NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C14H13ClFN3/c15-11-7-9(5-6-12(11)16)19-14-10-3-1-2-4-13(10)17-8-18-14/h1-8,10,13-14,19H,(H,17,18)