diethyl 2-[[(7-acetamidoquinazolin-4-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(7-acetamidoquinazolin-4-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[(7-acetamidoquinazolin-4-yl)amino]methylene]propanedioate CAS Name: 2-[[(7-acetamido-4-quinazolinyl)amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(7-acetamidoquinazolin-4-yl)amino]methylidene]propanedioate Traditional Name: 2-[[(7-acetamidoquinazolin-4-yl)amino]methylene]malonic acid diethyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC=NC2=C1C=CC(=C2)NC(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=NC=NC2=C1C=CC(=C2)NC(=O)C)C(=O)OCC

InChI

InChI=1S/C18H20N4O5/c1-4-26-17(24)14(18(25)27-5-2)9-19-16-13-7-6-12(22-11(3)23)8-15(13)20-10-21-16/h6-10H,4-5H2,1-3H3,(H,22,23)(H,19,20,21)