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

Systemtic Name: 2-methylpropyl 4-[[5-azanyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C20H22N6O2 MolecularWeight: 378.42768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O2/c1-13(2)11-28-20(27)14-3-5-15(6-4-14)25-18-17(21)19(24-12-23-18)26-16-7-9-22-10-8-16/h3-10,12-13H,11,21H2,1-2H3,(H2,22,23,24,25,26)