2-(3-chloranyl-4-fluoranyl-phenyl)-7-(3-methoxyprop-1-ynyl)quinazoline-4,6-diamine

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)-7-(3-methoxyprop-1-ynyl)quinazoline-4,6-diamine Openeye Name: 2-(3-chloro-4-fluoro-phenyl)-7-(3-methoxyprop-1-ynyl)quinazoline-4,6-diamine CAS Name: 2-(3-chloro-4-fluorophenyl)-7-(3-methoxyprop-1-ynyl)quinazoline-4,6-diamine IUPAC Name: 2-(3-chloro-4-fluorophenyl)-7-(3-methoxyprop-1-ynyl)quinazoline-4,6-diamine Traditional Name: [4-amino-2-(3-chloro-4-fluoro-phenyl)-7-(3-methoxyprop-1-ynyl)quinazolin-6-yl]amine Formula: C18H14ClFN4O MolecularWeight: 356.781363

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CC1=CC2=C(C=C1N)C(=NC(=N2)C3=CC(=C(C=C3)F)Cl)N

Isomeric SMILES

COCC#CC1=CC2=C(C=C1N)C(=NC(=N2)C3=CC(=C(C=C3)F)Cl)N

InChI

InChI=1S/C18H14ClFN4O/c1-25-6-2-3-10-8-16-12(9-15(10)21)17(22)24-18(23-16)11-4-5-14(20)13(19)7-11/h4-5,7-9H,6,21H2,1H3,(H2,22,23,24)