9-[[(1R,2S,3S)-2,3-bis(phenylmethoxymethyl)cyclopentyl]methyl]purin-6-amine

Systemtic Name: 9-[[(1R,2S,3S)-2,3-bis(phenylmethoxymethyl)cyclopentyl]methyl]purin-6-amine Openeye Name: 9-[[(1R,2S,3S)-2,3-bis(benzyloxymethyl)cyclopentyl]methyl]purin-6-amine CAS Name: 9-[[(1R,2S,3S)-2,3-bis(phenylmethoxymethyl)cyclopentyl]methyl]-6-purinamine IUPAC Name: 9-[[(1R,2S,3S)-2,3-bis(phenylmethoxymethyl)cyclopentyl]methyl]purin-6-amine Traditional Name: [9-[[(1R,2S,3S)-2,3-bis(benzoxymethyl)cyclopentyl]methyl]purin-6-yl]amine Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1CN2C=NC3=C2N=CN=C3N)COCC4=CC=CC=C4)COCC5=CC=CC=C5

Isomeric SMILES

C1C[C@@H]([C@H]([C@@H]1CN2C=NC3=C2N=CN=C3N)COCC4=CC=CC=C4)COCC5=CC=CC=C5

InChI

InChI=1S/C27H31N5O2/c28-26-25-27(30-18-29-26)32(19-31-25)13-22-11-12-23(16-33-14-20-7-3-1-4-8-20)24(22)17-34-15-21-9-5-2-6-10-21/h1-10,18-19,22-24H,11-17H2,(H2,28,29,30)/t22-,23+,24-/m0/s1