ethyl 4-[[5-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[5-azanyl-6-[(3-methoxyphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-(3-methoxyanilino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-amino-6-(m-anisidino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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(=CC=C3)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c1-3-28-20(26)13-7-9-14(10-8-13)24-18-17(21)19(23-12-22-18)25-15-5-4-6-16(11-15)27-2/h4-12H,3,21H2,1-2H3,(H2,22,23,24,25)