9-[[(2R,3S)-1,3-bis(phenylmethoxy)butan-2-yl]oxymethyl]purin-6-amine

Systemtic Name: 9-[[(2R,3S)-1,3-bis(phenylmethoxy)butan-2-yl]oxymethyl]purin-6-amine Openeye Name: 9-[[(1R,2S)-2-benzyloxy-1-(benzyloxymethyl)propoxy]methyl]purin-6-amine CAS Name: 9-[[(2R,3S)-1,3-bis(phenylmethoxy)butan-2-yl]oxymethyl]-6-purinamine IUPAC Name: 9-[[(2R,3S)-1,3-bis(phenylmethoxy)butan-2-yl]oxymethyl]purin-6-amine Traditional Name: [9-[[(1R,2S)-2-benzoxy-1-(benzoxymethyl)propoxy]methyl]purin-6-yl]amine Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(COCC1=CC=CC=C1)OCN2C=NC3=C2N=CN=C3N)OCC4=CC=CC=C4

Isomeric SMILES

C[C@@H]([C@@H](COCC1=CC=CC=C1)OCN2C=NC3=C2N=CN=C3N)OCC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O3/c1-18(31-13-20-10-6-3-7-11-20)21(14-30-12-19-8-4-2-5-9-19)32-17-29-16-28-22-23(25)26-15-27-24(22)29/h2-11,15-16,18,21H,12-14,17H2,1H3,(H2,25,26,27)/t18-,21+/m0/s1