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

Systemtic Name: ethyl 4-[[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-(4-butylanilino)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[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=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C23H27N5O2/c1-3-5-6-16-7-11-18(12-8-16)27-21-20(24)22(26-15-25-21)28-19-13-9-17(10-14-19)23(29)30-4-2/h7-15H,3-6,24H2,1-2H3,(H2,25,26,27,28)