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

Systemtic Name: methyl 2-[[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[5-amino-6-(4-butylanilino)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H25N5O2 MolecularWeight: 391.4662

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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)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2/c1-3-4-7-15-10-12-16(13-11-15)26-20-19(23)21(25-14-24-20)27-18-9-6-5-8-17(18)22(28)29-2/h5-6,8-14H,3-4,7,23H2,1-2H3,(H2,24,25,26,27)