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

Systemtic Name: dimethyl 2-[[[6-(3,3-dimethylbutanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC=C(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC=C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H24N4O5/c1-20(2,3)9-16(25)24-12-6-7-15-13(8-12)17(23-11-22-15)21-10-14(18(26)28-4)19(27)29-5/h6-8,10-11H,9H2,1-5H3,(H,24,25)(H,21,22,23)