dimethyl 2-[[[6-(2-ethylbutanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate

Systemtic Name: dimethyl 2-[[[6-(2-ethylbutanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate Openeye Name: dimethyl 2-[[[6-(2-ethylbutanoylamino)quinazolin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[6-[(2-ethyl-1-oxobutyl)amino]-4-quinazolinyl]amino]methylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[[6-(2-ethylbutanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[6-(2-ethylbutanoylamino)quinazolin-4-yl]amino]methylene]malonic acid dimethyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5/c1-5-12(6-2)18(25)24-13-7-8-16-14(9-13)17(23-11-22-16)21-10-15(19(26)28-3)20(27)29-4/h7-12H,5-6H2,1-4H3,(H,24,25)(H,21,22,23)