dihexyl 2-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methylidene]propanedioate

Systemtic Name: dihexyl 2-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methylidene]propanedioate Openeye Name: dihexyl 2-[[[2-(3-pyridyl)pyrimidin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[2-(3-pyridinyl)-4-pyrimidinyl]amino]methylidene]propanedioic acid dihexyl ester IUPAC Name: dihexyl 2-[[(2-pyridin-3-ylpyrimidin-4-yl)amino]methylidene]propanedioate Traditional Name: 2-[[[2-(3-pyridyl)pyrimidin-4-yl]amino]methylene]malonic acid dihexyl ester Formula: C25H34N4O4 MolecularWeight: 454.56186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(=CNC1=NC(=NC=C1)C2=CN=CC=C2)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC(=O)C(=CNC1=NC(=NC=C1)C2=CN=CC=C2)C(=O)OCCCCCC

InChI

InChI=1S/C25H34N4O4/c1-3-5-7-9-16-32-24(30)21(25(31)33-17-10-8-6-4-2)19-28-22-13-15-27-23(29-22)20-12-11-14-26-18-20/h11-15,18-19H,3-10,16-17H2,1-2H3,(H,27,28,29)