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

Systemtic Name: 2-[[[6-(propanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate Openeye Name: 2-[[[6-(propanoylamino)quinazolin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[6-(1-oxopropylamino)-4-quinazolinyl]amino]methylidene]propanedioate IUPAC Name: 2-[[[6-(propanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate Traditional Name: 2-[[(6-propionamidoquinazolin-4-yl)amino]methylene]malonate Formula: C15H12N4O5-2 MolecularWeight: 328.27958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O5/c1-2-12(20)19-8-3-4-11-9(5-8)13(18-7-17-11)16-6-10(14(21)22)15(23)24/h3-7H,2H2,1H3,(H,19,20)(H,21,22)(H,23,24)(H,16,17,18)/p-2