2-[[2-chloranyl-8-cyclopentyl-7-(phenylmethyl)purin-6-yl]amino]-3-(4-fluorophenyl)propan-1-ol

Systemtic Name: 2-[[2-chloranyl-8-cyclopentyl-7-(phenylmethyl)purin-6-yl]amino]-3-(4-fluorophenyl)propan-1-ol Openeye Name: 2-[(7-benzyl-2-chloro-8-cyclopentyl-purin-6-yl)amino]-3-(4-fluorophenyl)propan-1-ol CAS Name: 2-[[2-chloro-8-cyclopentyl-7-(phenylmethyl)-6-purinyl]amino]-3-(4-fluorophenyl)-1-propanol IUPAC Name: 2-[(7-benzyl-2-chloro-8-cyclopentylpurin-6-yl)amino]-3-(4-fluorophenyl)propan-1-ol Traditional Name: 2-[(7-benzyl-2-chloro-8-cyclopentyl-purin-6-yl)amino]-3-(4-fluorophenyl)propan-1-ol Formula: C26H27ClFN5O MolecularWeight: 479.976883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=NC(=N3)Cl)NC(CC5=CC=C(C=C5)F)CO

Isomeric SMILES

C1CCC(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=NC(=N3)Cl)NC(CC5=CC=C(C=C5)F)CO

InChI

InChI=1S/C26H27ClFN5O/c27-26-31-23(29-21(16-34)14-17-10-12-20(28)13-11-17)22-24(32-26)30-25(19-8-4-5-9-19)33(22)15-18-6-2-1-3-7-18/h1-3,6-7,10-13,19,21,34H,4-5,8-9,14-16H2,(H,29,31,32)