2-azanyl-9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-3H-purin-6-one Openeye Name: 2-amino-9-[(1S,3R,4S)-4-benzyloxy-3-(benzyloxymethyl)-2-methylene-cyclopentyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1S,3R,4S)-2-methylene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(1S,3R,4S)-4-benzoxy-3-(benzoxymethyl)-2-methylene-cyclopentyl]-3H-purin-6-one Formula: C26H27N5O3 MolecularWeight: 461.494899

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(CC(C1COCC2=CC=CC=C2)OCC3=CC=CC=C3)N4C=NC5=C4NC(=NC5=O)N

Isomeric SMILES

C=C1[C@H](C[C@@H]([C@H]1COCC2=CC=CC=C2)OCC3=CC=CC=C3)N4C=N[13C]5=[13C]4N[13C](=N[13C]5=O)N

InChI

InChI=1S/C26H27N5O3/c1-17-20(15-33-13-18-8-4-2-5-9-18)22(34-14-19-10-6-3-7-11-19)12-21(17)31-16-28-23-24(31)29-26(27)30-25(23)32/h2-11,16,20-22H,1,12-15H2,(H3,27,29,30,32)/t20-,21-,22-/m0/s1/i23+1,24+1,25+1,26+1