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

Systemtic Name: 2-[[[6-(2-oxidanylidenebutanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate Openeye Name: 2-[[[6-(2-oxobutanoylamino)quinazolin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[6-(1,2-dioxobutylamino)-4-quinazolinyl]amino]methylidene]propanedioate IUPAC Name: 2-[[[6-(2-oxobutanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[6-(2-ketobutanoylamino)quinazolin-4-yl]amino]methylene]malonate Formula: C16H12N4O6-2 MolecularWeight: 356.28968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=O)NC1=CC2=C(C=C1)N=CN=C2NC=C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(=O)C(=O)NC1=CC2=C(C=C1)N=CN=C2NC=C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H14N4O6/c1-2-12(21)14(22)20-8-3-4-11-9(5-8)13(19-7-18-11)17-6-10(15(23)24)16(25)26/h3-7H,2H2,1H3,(H,20,22)(H,23,24)(H,25,26)(H,17,18,19)/p-2