azido(phenyl)methanone; 2-methyl-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-4-one

Systemtic Name: azido(phenyl)methanone; 2-methyl-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-4-one Openeye Name: benzoyl azide; 2-methyl-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-4-one CAS Name: azido(phenyl)methanone; 2-methyl-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-4-one IUPAC Name: benzoyl azide; 2-methyl-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-4-one Traditional Name: azido(phenyl)methanone; 2-methyl-6-[(propargylamino)methyl]-1H-quinazolin-4-one Formula: C20H18N6O2 MolecularWeight: 374.39592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CNCC#C.C1=CC=C(C=C1)C(=O)N=[N+]=[N-]

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CNCC#C.C1=CC=C(C=C1)C(=O)N=[N+]=[N-]

InChI

InChI=1S/C13H13N3O.C7H5N3O/c1-3-6-14-8-10-4-5-12-11(7-10)13(17)16-9(2)15-12;8-10-9-7(11)6-4-2-1-3-5-6/h1,4-5,7,14H,6,8H2,2H3,(H,15,16,17);1-5H