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

Systemtic Name: methyl 4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]-3-methyl-piperidine-1-carboxylate Openeye Name: methyl 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-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 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-carboxylic acid methyl ester Formula: C20H23FN6O2 MolecularWeight: 398.434023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1NC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F)C(=O)OC

Isomeric SMILES

CC1CN(CCC1NC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F)C(=O)OC

InChI

InChI=1S/C20H23FN6O2/c1-13-10-26(20(28)29-2)8-7-16(13)24-19-25-17-9-22-12-23-18(17)27(19)11-14-3-5-15(21)6-4-14/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,24,25)