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

Systemtic Name: 2-methylpropyl 4-[[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-amino-6-(4-butylanilino)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C25H31N5O2 MolecularWeight: 433.54594

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O2/c1-4-5-6-18-7-11-20(12-8-18)29-23-22(26)24(28-16-27-23)30-21-13-9-19(10-14-21)25(31)32-15-17(2)3/h7-14,16-17H,4-6,15,26H2,1-3H3,(H2,27,28,29,30)