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

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

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2/c1-3-4-5-15-6-10-17(11-7-15)26-20-19(23)21(25-14-24-20)27-18-12-8-16(9-13-18)22(28)29-2/h6-14H,3-5,23H2,1-2H3,(H2,24,25,26,27)