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

Systemtic Name: 2-[[(6-acetamidoquinazolin-4-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(6-acetamidoquinazolin-4-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(6-acetamido-4-quinazolinyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(6-acetamidoquinazolin-4-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(6-acetamidoquinazolin-4-yl)amino]methylene]malonic acid Formula: C14H12N4O5 MolecularWeight: 316.26888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O5/c1-7(19)18-8-2-3-11-9(4-8)12(17-6-16-11)15-5-10(13(20)21)14(22)23/h2-6H,1H3,(H,18,19)(H,20,21)(H,22,23)(H,15,16,17)