4-[[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-azanyl-6-[(4-butylphenyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-amino-6-(4-butylanilino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-amino-6-(4-butylanilino)pyrimidin-4-yl]amino]benzoic acid Formula: C21H23N5O2 MolecularWeight: 377.43962

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2/c1-2-3-4-14-5-9-16(10-6-14)25-19-18(22)20(24-13-23-19)26-17-11-7-15(8-12-17)21(27)28/h5-13H,2-4,22H2,1H3,(H,27,28)(H2,23,24,25,26)