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

Systemtic Name: 2-[[[6-[bis(2-hydroxyethyl)amino]quinazolin-4-yl]amino]methylidene]propanedioate Openeye Name: 2-[[[6-[bis(2-hydroxyethyl)amino]quinazolin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[6-[bis(2-hydroxyethyl)amino]-4-quinazolinyl]amino]methylidene]propanedioate IUPAC Name: 2-[[[6-[bis(2-hydroxyethyl)amino]quinazolin-4-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[6-[bis(2-hydroxyethyl)amino]quinazolin-4-yl]amino]methylene]malonate Formula: C16H16N4O6-2 MolecularWeight: 360.32144

Click to see the large picture

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)/p-2