ethyl 4-[[6-methyl-2-[(phenylmethyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-methyl-2-[(phenylmethyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[2-(benzylamino)-6-methyl-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-methyl-2-[(phenylmethyl)amino]-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(benzylamino)-6-methylpyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[2-(benzylamino)-6-methyl-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)C)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)C)NCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2/c1-3-27-20(26)17-9-11-18(12-10-17)24-19-13-15(2)23-21(25-19)22-14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H2,22,23,24,25)