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

Systemtic Name: diethyl 2-[[[6-[bis(2-hydroxyethyl)amino]quinazolin-4-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[6-[bis(2-hydroxyethyl)amino]quinazolin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[6-[bis(2-hydroxyethyl)amino]-4-quinazolinyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 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]malonic acid diethyl ester Formula: C20H26N4O6 MolecularWeight: 418.44364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC=NC2=C1C=C(C=C2)N(CCO)CCO)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=NC=NC2=C1C=C(C=C2)N(CCO)CCO)C(=O)OCC

InChI

InChI=1S/C20H26N4O6/c1-3-29-19(27)16(20(28)30-4-2)12-21-18-15-11-14(24(7-9-25)8-10-26)5-6-17(15)22-13-23-18/h5-6,11-13,25-26H,3-4,7-10H2,1-2H3,(H,21,22,23)