ethyl 4-[[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-(pyridin-4-ylamino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-amino-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-amino-6-(4-pyridylamino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C18H18N6O2 MolecularWeight: 350.37452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=NC=C3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=NC=C3)N

InChI

InChI=1S/C18H18N6O2/c1-2-26-18(25)12-3-5-13(6-4-12)23-16-15(19)17(22-11-21-16)24-14-7-9-20-10-8-14/h3-11H,2,19H2,1H3,(H2,20,21,22,23,24)