2-azanyl-9-[(2R,3S,4S,5R)-5-azido-3-ethyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(2R,3S,4S,5R)-5-azido-3-ethyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,3S,4S,5R)-5-azido-3-ethyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,3S,4S,5R)-5-azido-3-ethyl-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,3S,4S,5R)-5-azido-3-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,3S,4S,5R)-5-azido-3-ethyl-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C12H16N8O4 MolecularWeight: 336.30664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)(CO)N=[N+]=[N-])O

Isomeric SMILES

CC[C@H]1[C@@H]([C@](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)(CO)N=[N+]=[N-])O

InChI

InChI=1S/C12H16N8O4/c1-2-5-7(22)12(3-21,18-19-14)24-10(5)20-4-15-6-8(20)16-11(13)17-9(6)23/h4-5,7,10,21-22H,2-3H2,1H3,(H3,13,16,17,23)/t5-,7-,10+,12+/m0/s1