6-[[3-carbonazidoyl-2-(prop-2-ynylamino)phenyl]methyl]-2-methyl-1H-quinazolin-4-one

Systemtic Name: 6-[[3-carbonazidoyl-2-(prop-2-ynylamino)phenyl]methyl]-2-methyl-1H-quinazolin-4-one Openeye Name: 3-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]-2-(prop-2-ynylamino)benzoyl azide CAS Name: 6-[[3-carbonazidoyl-2-(prop-2-ynylamino)phenyl]methyl]-2-methyl-1H-quinazolin-4-one IUPAC Name: 3-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]-2-(prop-2-ynylamino)benzoyl azide Traditional Name: 6-[3-carbonazidoyl-2-(propargylamino)benzyl]-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)CC3=CC=CC(=C3NCC#C)C(=O)N=[N+]=[N-]

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CC3=CC=CC(=C3NCC#C)C(=O)N=[N+]=[N-]

InChI

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