2-azanyl-9-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile

Systemtic Name: 2-azanyl-9-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile Openeye Name: 2-amino-9-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-6-carbonitrile CAS Name: 2-amino-9-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)-2-oxolanyl]-6-purinecarbonitrile IUPAC Name: 2-amino-9-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]purine-6-carbonitrile Traditional Name: 2-amino-9-[(2R,4S,5S)-4-azido-5-methylol-tetrahydrofuran-2-yl]purine-6-carbonitrile Formula: C11H11N9O2 MolecularWeight: 301.26414

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C(N=C(N=C32)N)C#N)CO)N=[N+]=[N-]

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)N)C#N)CO)N=[N+]=[N-]

InChI

InChI=1S/C11H11N9O2/c12-2-6-9-10(17-11(13)16-6)20(4-15-9)8-1-5(18-19-14)7(3-21)22-8/h4-5,7-8,21H,1,3H2,(H2,13,16,17)/t5-,7+,8+/m0/s1