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4-[[2-(butan-2-ylamino)phenyl]amino]-2-phenyl-pyrimidine-5-carboxylic acid
4-[[2-(butan-2-ylamino)phenyl]amino]-2-phenyl-pyrimidine-5-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCC(C)NC1=CC=CC=C1NC2=NC(=NC=C2C(=O)O)C3=CC=CC=C3
Isomeric SMILES
CCC(C)NC1=CC=CC=C1NC2=NC(=NC=C2C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C21H22N4O2/c1-3-14(2)23-17-11-7-8-12-18(17)24-20-16(21(26)27)13-22-19(25-20)15-9-5-4-6-10-15/h4-14,23H,3H2,1-2H3,(H,26,27)(H,22,24,25)
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