2-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-(prop-2-ynylamino)amino]-3-oxidanylidene-3-phenyl-propanoic acid

Systemtic Name: 2-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-(prop-2-ynylamino)amino]-3-oxidanylidene-3-phenyl-propanoic acid Openeye Name: 2-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-(prop-2-ynylamino)amino]-3-oxo-3-phenyl-propanoic acid CAS Name: 2-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-(prop-2-ynylamino)amino]-3-oxo-3-phenylpropanoic acid IUPAC Name: 2-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-(prop-2-ynylamino)amino]-3-oxo-3-phenylpropanoic acid Traditional Name: 3-keto-2-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-(propargylamino)amino]-3-phenyl-propionic acid Formula: C22H20N4O4 MolecularWeight: 404.4186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O4/c1-3-11-23-26(19(22(29)30)20(27)16-7-5-4-6-8-16)13-15-9-10-18-17(12-15)21(28)25-14(2)24-18/h1,4-10,12,19,23H,11,13H2,2H3,(H,29,30)(H,24,25,28)