3-[4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]-N-propan-2-yl-propanamide

Systemtic Name: 3-[4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]-N-propan-2-yl-propanamide Openeye Name: 3-[4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]-1-piperidyl]-N-isopropyl-propanamide CAS Name: 3-[4-[[9-[(4-fluorophenyl)methyl]-8-purinyl]amino]-1-piperidinyl]-N-propan-2-ylpropanamide IUPAC Name: 3-[4-[[9-[(4-fluorophenyl)methyl]purin-8-yl]amino]piperidin-1-yl]-N-propan-2-ylpropanamide Traditional Name: 3-[4-[[9-(4-fluorobenzyl)purin-8-yl]amino]piperidino]-N-isopropyl-propionamide Formula: C23H30FN7O MolecularWeight: 439.529003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CCN1CCC(CC1)NC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)NC(=O)CCN1CCC(CC1)NC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F

InChI

InChI=1S/C23H30FN7O/c1-16(2)27-21(32)9-12-30-10-7-19(8-11-30)28-23-29-20-13-25-15-26-22(20)31(23)14-17-3-5-18(24)6-4-17/h3-6,13,15-16,19H,7-12,14H2,1-2H3,(H,27,32)(H,28,29)