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

Systemtic Name: 2-azanyl-6-[[(4-ethanoylphenyl)-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 6-[(4-acetyl-N-prop-2-ynyl-anilino)methyl]-2-amino-1H-quinazolin-4-one CAS Name: 6-[(4-acetyl-N-prop-2-ynylanilino)methyl]-2-amino-1H-quinazolin-4-one IUPAC Name: 6-[(4-acetyl-N-prop-2-ynylanilino)methyl]-2-amino-1H-quinazolin-4-one Traditional Name: 6-[(4-acetyl-N-propargyl-anilino)methyl]-2-amino-1H-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)CC2=CC3=C(C=C2)NC(=NC3=O)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CC3=C(C=C2)NC(=NC3=O)N

InChI

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