methyl 2-[[5-azanyl-6-[(4-ethylphenyl)amino]pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[5-azanyl-6-[(4-ethylphenyl)amino]pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[5-amino-6-(4-ethylanilino)-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[5-amino-6-(4-ethylanilino)pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C21H23N5O2 MolecularWeight: 377.43962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)N

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3C(=O)OC)N

InChI

InChI=1S/C21H23N5O2/c1-4-14-9-11-15(12-10-14)25-19-18(22)20(24-13-23-19)26(2)17-8-6-5-7-16(17)21(27)28-3/h5-13H,4,22H2,1-3H3,(H,23,24,25)