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

Systemtic Name: 2-[[(6-butylquinazolin-4-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(6-butylquinazolin-4-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(6-butyl-4-quinazolinyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(6-butylquinazolin-4-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(6-butylquinazolin-4-yl)amino]methylene]malonic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=CN=C2NC=C(C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=CN=C2NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C16H17N3O4/c1-2-3-4-10-5-6-13-11(7-10)14(19-9-18-13)17-8-12(15(20)21)16(22)23/h5-9H,2-4H2,1H3,(H,20,21)(H,22,23)(H,17,18,19)