2-[[[6-(butanoylamino)quinazolin-4-yl]amino]methylidene]propanedioic acid

Systemtic Name: 2-[[[6-(butanoylamino)quinazolin-4-yl]amino]methylidene]propanedioic acid Openeye Name: 2-[[[6-(butanoylamino)quinazolin-4-yl]amino]methylene]propanedioic acid CAS Name: 2-[[[6-(1-oxobutylamino)-4-quinazolinyl]amino]methylidene]propanedioic acid IUPAC Name: 2-[[[6-(butanoylamino)quinazolin-4-yl]amino]methylidene]propanedioic acid Traditional Name: 2-[[(6-butyramidoquinazolin-4-yl)amino]methylene]malonic acid Formula: C16H16N4O5 MolecularWeight: 344.32204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC=C(C(=O)O)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N=CN=C2NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C16H16N4O5/c1-2-3-13(21)20-9-4-5-12-10(6-9)14(19-8-18-12)17-7-11(15(22)23)16(24)25/h4-8H,2-3H2,1H3,(H,20,21)(H,22,23)(H,24,25)(H,17,18,19)