2-azanyl-3-[[(4-ethanoylphenyl)-prop-2-ynyl-amino]methyl]quinazolin-4-one

Systemtic Name: 2-azanyl-3-[[(4-ethanoylphenyl)-prop-2-ynyl-amino]methyl]quinazolin-4-one Openeye Name: 3-[(4-acetyl-N-prop-2-ynyl-anilino)methyl]-2-amino-quinazolin-4-one CAS Name: 3-[(4-acetyl-N-prop-2-ynylanilino)methyl]-2-amino-4-quinazolinone IUPAC Name: 3-[(4-acetyl-N-prop-2-ynylanilino)methyl]-2-aminoquinazolin-4-one Traditional Name: 3-[(4-acetyl-N-propargyl-anilino)methyl]-2-amino-quinazolin-4-one Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N(CC#C)CN2C(=O)C3=CC=CC=C3N=C2N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N(CC#C)CN2C(=O)C3=CC=CC=C3N=C2N

InChI

InChI=1S/C20H18N4O2/c1-3-12-23(16-10-8-15(9-11-16)14(2)25)13-24-19(26)17-6-4-5-7-18(17)22-20(24)21/h1,4-11H,12-13H2,2H3,(H2,21,22)