diethyl 2-[[(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)amino]methylene]propanedioate CAS Name: 2-[[(5,7-diphenyl-4-pyrrolo[2,3-d]pyrimidinyl)amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)amino]methylidene]propanedioate Traditional Name: 2-[[(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)amino]methylene]malonic acid diethyl ester Formula: C26H24N4O4 MolecularWeight: 456.49316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC=NC2=C1C(=CN2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=NC=NC2=C1C(=CN2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C26H24N4O4/c1-3-33-25(31)20(26(32)34-4-2)15-27-23-22-21(18-11-7-5-8-12-18)16-30(24(22)29-17-28-23)19-13-9-6-10-14-19/h5-17H,3-4H2,1-2H3,(H,27,28,29)