N-(2-ethylphenyl)quinazolin-4-amine; molecular hydrogen; hydrochloride

Systemtic Name: N-(2-ethylphenyl)quinazolin-4-amine; molecular hydrogen; hydrochloride Openeye Name: N-(2-ethylphenyl)quinazolin-4-amine; molecular hydrogen; hydrochloride CAS Name: N-(2-ethylphenyl)-4-quinazolinamine; molecular hydrogen; hydrochloride IUPAC Name: N-(2-ethylphenyl)quinazolin-4-amine; molecular hydrogen; hydrochloride Traditional Name: (2-ethylphenyl)-quinazolin-4-yl-amine; molecular hydrogen; hydrochloride Formula: C16H18ClN3 MolecularWeight: 287.78722

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Descriptors Computed from Structure

Canonical SMILES:

[HH].CCC1=CC=CC=C1NC2=NC=NC3=CC=CC=C32.Cl

Isomeric SMILES

[HH].CCC1=CC=CC=C1NC2=NC=NC3=CC=CC=C32.Cl

InChI

InChI=1S/C16H15N3.ClH.H2/c1-2-12-7-3-5-9-14(12)19-16-13-8-4-6-10-15(13)17-11-18-16;;/h3-11H,2H2,1H3,(H,17,18,19);2*1H