diethyl 2-[[[6-(3,3-dimethylbutanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[6-(3,3-dimethylbutanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[6-(3,3-dimethylbutanoylamino)quinazolin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[6-[(3,3-dimethyl-1-oxobutyl)amino]-4-quinazolinyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[[6-(3,3-dimethylbutanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[6-(3,3-dimethylbutanoylamino)quinazolin-4-yl]amino]methylene]malonic acid diethyl ester Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O5/c1-6-30-20(28)16(21(29)31-7-2)12-23-19-15-10-14(8-9-17(15)24-13-25-19)26-18(27)11-22(3,4)5/h8-10,12-13H,6-7,11H2,1-5H3,(H,26,27)(H,23,24,25)