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

Systemtic Name: 2-[[[6-[bis(2-hydroxyethyl)amino]quinazolin-4-yl]amino]methylidene]propanedioic acid Openeye Name: 2-[[[6-[bis(2-hydroxyethyl)amino]quinazolin-4-yl]amino]methylene]propanedioic acid CAS Name: 2-[[[6-[bis(2-hydroxyethyl)amino]-4-quinazolinyl]amino]methylidene]propanedioic acid IUPAC Name: 2-[[[6-[bis(2-hydroxyethyl)amino]quinazolin-4-yl]amino]methylidene]propanedioic acid Traditional Name: 2-[[[6-[bis(2-hydroxyethyl)amino]quinazolin-4-yl]amino]methylene]malonic acid Formula: C16H18N4O6 MolecularWeight: 362.33732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N(CCO)CCO)C(=NC=N2)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1N(CCO)CCO)C(=NC=N2)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C16H18N4O6/c21-5-3-20(4-6-22)10-1-2-13-11(7-10)14(19-9-18-13)17-8-12(15(23)24)16(25)26/h1-2,7-9,21-22H,3-6H2,(H,23,24)(H,25,26)(H,17,18,19)