2-azanyl-9-[[(2R,3S,4S)-3,4-bis(phenylmethoxymethyl)oxetan-2-yl]methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[(2R,3S,4S)-3,4-bis(phenylmethoxymethyl)oxetan-2-yl]methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[(2R,3S,4S)-3,4-bis(benzyloxymethyl)oxetan-2-yl]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[(2R,3S,4S)-3,4-bis(phenylmethoxymethyl)-2-oxetanyl]methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[(2R,3S,4S)-3,4-bis(phenylmethoxymethyl)oxetan-2-yl]methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[(2R,3S,4S)-3,4-bis(benzoxymethyl)oxetan-2-yl]methyl]-3H-purin-6-one Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(OC2COCC3=CC=CC=C3)CN4C=NC5=C4NC(=NC5=O)N

Isomeric SMILES

C1=CC=C(C=C1)COC[C@H]2[C@@H](O[C@@H]2COCC3=CC=CC=C3)CN4C=NC5=C4NC(=NC5=O)N

InChI

InChI=1S/C25H27N5O4/c26-25-28-23-22(24(31)29-25)27-16-30(23)11-20-19(14-32-12-17-7-3-1-4-8-17)21(34-20)15-33-13-18-9-5-2-6-10-18/h1-10,16,19-21H,11-15H2,(H3,26,28,29,31)/t19-,20-,21+/m0/s1