6-[[(3-iodanylphenyl)-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one

Systemtic Name: 6-[[(3-iodanylphenyl)-prop-2-ynyl-amino]methyl]-2-methyl-1H-quinazolin-4-one Openeye Name: 6-[(3-iodo-N-prop-2-ynyl-anilino)methyl]-2-methyl-1H-quinazolin-4-one CAS Name: 6-[(3-iodo-N-prop-2-ynylanilino)methyl]-2-methyl-1H-quinazolin-4-one IUPAC Name: 6-[(3-iodo-N-prop-2-ynylanilino)methyl]-2-methyl-1H-quinazolin-4-one Traditional Name: 6-[(3-iodo-N-propargyl-anilino)methyl]-2-methyl-1H-quinazolin-4-one Formula: C19H16IN3O MolecularWeight: 429.25431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC(=CC=C3)I

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC(=CC=C3)I

InChI

InChI=1S/C19H16IN3O/c1-3-9-23(16-6-4-5-15(20)11-16)12-14-7-8-18-17(10-14)19(24)22-13(2)21-18/h1,4-8,10-11H,9,12H2,2H3,(H,21,22,24)