methyl 4-[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]oxybenzoate

Systemtic Name: methyl 4-[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]oxybenzoate Openeye Name: methyl 4-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[5-amino-6-(4-butylanilino)-4-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 4-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]oxybenzoate Traditional Name: 4-[5-amino-6-(4-butylanilino)pyrimidin-4-yl]oxybenzoic acid methyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)OC)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3=CC=C(C=C3)C(=O)OC)N

InChI

InChI=1S/C22H24N4O3/c1-3-4-5-15-6-10-17(11-7-15)26-20-19(23)21(25-14-24-20)29-18-12-8-16(9-13-18)22(27)28-2/h6-14H,3-5,23H2,1-2H3,(H,24,25,26)