2-methyl-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-4-one benzoate

Systemtic Name: 2-methyl-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-4-one benzoate Openeye Name: 2-methyl-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-4-one benzoate CAS Name: 2-methyl-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-4-one benzoate IUPAC Name: 2-methyl-6-[(prop-2-ynylamino)methyl]-1H-quinazolin-4-one benzoate Traditional Name: 2-methyl-6-[(propargylamino)methyl]-1H-quinazolin-4-one benzoate Formula: C20H18N3O3- MolecularWeight: 348.37522

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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)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O.C7H6O2/c1-3-6-14-8-10-4-5-12-11(7-10)13(17)16-9(2)15-12;8-7(9)6-4-2-1-3-5-6/h1,4-5,7,14H,6,8H2,2H3,(H,15,16,17);1-5H,(H,8,9)/p-1