4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]-3-methyl-piperidine-1-carboxylate

Systemtic Name: 4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]-3-methyl-piperidine-1-carboxylate Openeye Name: 4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]-3-methyl-piperidine-1-carboxylate CAS Name: 4-[[9-[(4-fluorophenyl)methyl]-8-purinyl]amino]-3-methyl-1-piperidinecarboxylate IUPAC Name: 4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]-3-methylpiperidine-1-carboxylate Traditional Name: 4-[[9-(4-fluorobenzyl)purin-8-yl]amino]-3-methyl-piperidine-1-carboxylate Formula: C19H20FN6O2- MolecularWeight: 383.399503

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1NC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F)C(=O)[O-]

Isomeric SMILES

CC1CN(CCC1NC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F)C(=O)[O-]

InChI

InChI=1S/C19H21FN6O2/c1-12-9-25(19(27)28)7-6-15(12)23-18-24-16-8-21-11-22-17(16)26(18)10-13-2-4-14(20)5-3-13/h2-5,8,11-12,15H,6-7,9-10H2,1H3,(H,23,24)(H,27,28)/p-1