tert-butyl N-(2-hex-1-ynylquinazolin-4-yl)carbamate; methanamine

Systemtic Name: tert-butyl N-(2-hex-1-ynylquinazolin-4-yl)carbamate; methanamine Openeye Name: tert-butyl N-(2-hex-1-ynylquinazolin-4-yl)carbamate; methanamine CAS Name: N-(2-hex-1-ynyl-4-quinazolinyl)carbamic acid tert-butyl ester; methanamine IUPAC Name: tert-butyl N-(2-hex-1-ynylquinazolin-4-yl)carbamate; methanamine Traditional Name: N-(2-hex-1-ynylquinazolin-4-yl)carbamic acid tert-butyl ester; methylamine Formula: C20H28N4O2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=NC2=CC=CC=C2C(=N1)NC(=O)OC(C)(C)C.CN

Isomeric SMILES

CCCCC#CC1=NC2=CC=CC=C2C(=N1)NC(=O)OC(C)(C)C.CN

InChI

InChI=1S/C19H23N3O2.CH5N/c1-5-6-7-8-13-16-20-15-12-10-9-11-14(15)17(21-16)22-18(23)24-19(2,3)4;1-2/h9-12H,5-7H2,1-4H3,(H,20,21,22,23);2H2,1H3