9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclobutyl]purin-6-amine

Systemtic Name: 9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclobutyl]purin-6-amine Openeye Name: 9-[(1S,2S,3R)-2-benzyloxy-3-(benzyloxymethyl)-4-methylene-cyclobutyl]purin-6-amine CAS Name: 9-[(1S,3R,4S)-2-methylene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclobutyl]-6-purinamine IUPAC Name: 9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclobutyl]purin-6-amine Traditional Name: [9-[(1S,2S,3R)-2-benzoxy-3-(benzoxymethyl)-4-methylene-cyclobutyl]purin-6-yl]amine Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(C1N2C=NC3=C2N=CN=C3N)OCC4=CC=CC=C4)COCC5=CC=CC=C5

Isomeric SMILES

C=C1[C@@H]([C@@H]([C@H]1N2C=NC3=C2N=CN=C3N)OCC4=CC=CC=C4)COCC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O2/c1-17-20(14-31-12-18-8-4-2-5-9-18)23(32-13-19-10-6-3-7-11-19)22(17)30-16-29-21-24(26)27-15-28-25(21)30/h2-11,15-16,20,22-23H,1,12-14H2,(H2,26,27,28)/t20-,22-,23-/m0/s1