6-[[(4-carbonazidoylphenyl)-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one

Systemtic Name: 6-[[(4-carbonazidoylphenyl)-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one Openeye Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl azide CAS Name: 6-[(4-carbonazidoyl-N-prop-2-ynylanilino)methyl]-2-methyl-1H-quinazolin-4-one IUPAC Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl azide Traditional Name: 6-[(4-carbonazidoyl-N-propargyl-anilino)methyl]-2-methyl-1H-quinazolin-4-one Formula: C20H16N6O2 MolecularWeight: 372.38004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)N=[N+]=[N-]

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)N=[N+]=[N-]

InChI

InChI=1S/C20H16N6O2/c1-3-10-26(16-7-5-15(6-8-16)19(27)24-25-21)12-14-4-9-18-17(11-14)20(28)23-13(2)22-18/h1,4-9,11H,10,12H2,2H3,(H,22,23,28)