(1R,2S,3R,5S)-3-[6-(2,2-diphenylethylamino)-2-[2-(1H-imidazol-5-yl)ethylamino]purin-9-yl]-5-(5-methyl-1,2,3,4-tetrazol-2-yl)cyclopentane-1,2-diol

Systemtic Name: (1R,2S,3R,5S)-3-[6-(2,2-diphenylethylamino)-2-[2-(1H-imidazol-5-yl)ethylamino]purin-9-yl]-5-(5-methyl-1,2,3,4-tetrazol-2-yl)cyclopentane-1,2-diol Openeye Name: (1R,2S,3R,5S)-3-[6-(2,2-diphenylethylamino)-2-[2-(1H-imidazol-5-yl)ethylamino]purin-9-yl]-5-(5-methyltetrazol-2-yl)cyclopentane-1,2-diol CAS Name: (1R,2S,3R,5S)-3-[6-(2,2-diphenylethylamino)-2-[2-(1H-imidazol-5-yl)ethylamino]-9-purinyl]-5-(5-methyl-2-tetrazolyl)cyclopentane-1,2-diol IUPAC Name: (1R,2S,3R,5S)-3-[6-(2,2-diphenylethylamino)-2-[2-(1H-imidazol-5-yl)ethylamino]purin-9-yl]-5-(5-methyltetrazol-2-yl)cyclopentane-1,2-diol Traditional Name: (1R,2S,3R,5S)-3-[6-(2,2-diphenylethylamino)-2-[2-(1H-imidazol-5-yl)ethylamino]purin-9-yl]-5-(5-methyltetrazol-2-yl)cyclopentane-1,2-diol Formula: C31H34N12O2 MolecularWeight: 606.68086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=N1)C2CC(C(C2O)O)N3C=NC4=C3N=C(N=C4NCC(C5=CC=CC=C5)C6=CC=CC=C6)NCCC7=CN=CN7

Isomeric SMILES

CC1=NN(N=N1)[C@H]2C[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C3N=C(N=C4NCC(C5=CC=CC=C5)C6=CC=CC=C6)NCCC7=CN=CN7

InChI

InChI=1S/C31H34N12O2/c1-19-39-41-43(40-19)25-14-24(27(44)28(25)45)42-18-36-26-29(37-31(38-30(26)42)33-13-12-22-15-32-17-35-22)34-16-23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,15,17-18,23-25,27-28,44-45H,12-14,16H2,1H3,(H,32,35)(H2,33,34,37,38)/t24-,25+,27+,28-/m1/s1