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

Systemtic Name: methyl 4-[[5-azanyl-6-[methyl-(phenylmethyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-[methyl-(phenylmethyl)amino]-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H21N5O2 MolecularWeight: 363.41304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21N5O2/c1-25(12-14-6-4-3-5-7-14)19-17(21)18(22-13-23-19)24-16-10-8-15(9-11-16)20(26)27-2/h3-11,13H,12,21H2,1-2H3,(H,22,23,24)