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1-[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]piperidine-4-carboxylic acid
1-[4-[(3-methylphenyl)amino]pyrimido[5,4-d]pyrimidin-6-yl]piperidine-4-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)N4CCC(CC4)C(=O)O
Isomeric SMILES
CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)N4CCC(CC4)C(=O)O
InChI
InChI=1S/C19H20N6O2/c1-12-3-2-4-14(9-12)23-17-16-15(21-11-22-17)10-20-19(24-16)25-7-5-13(6-8-25)18(26)27/h2-4,9-11,13H,5-8H2,1H3,(H,26,27)(H,21,22,23)
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