methyl 4-[5-azanyl-6-(tert-butylamino)pyrimidin-4-yl]oxybenzoate

Systemtic Name: methyl 4-[5-azanyl-6-(tert-butylamino)pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[5-amino-6-(tert-butylamino)-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]oxybenzoate Traditional Name: 4-[5-amino-6-(tert-butylamino)pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C16H20N4O3 MolecularWeight: 316.355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=C(C(=NC=N1)OC2=CC=C(C=C2)C(=O)OC)N

Isomeric SMILES

CC(C)(C)NC1=C(C(=NC=N1)OC2=CC=C(C=C2)C(=O)OC)N

InChI

InChI=1S/C16H20N4O3/c1-16(2,3)20-13-12(17)14(19-9-18-13)23-11-7-5-10(6-8-11)15(21)22-4/h5-9H,17H2,1-4H3,(H,18,19,20)