ethyl 2-[[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 2-[[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-amino-6-(4-butylanilino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OCC)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC=C3C(=O)OCC)N

InChI

InChI=1S/C23H27N5O2/c1-3-5-8-16-11-13-17(14-12-16)27-21-20(24)22(26-15-25-21)28-19-10-7-6-9-18(19)23(29)30-4-2/h6-7,9-15H,3-5,8,24H2,1-2H3,(H2,25,26,27,28)