(2R,3S,4S,5S)-2-(hydroxymethyl)-4-methyl-3-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)oxolane-2-carbonitrile

Systemtic Name: (2R,3S,4S,5S)-2-(hydroxymethyl)-4-methyl-3-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)oxolane-2-carbonitrile Openeye Name: (2R,3S,4S,5S)-3-hydroxy-2-(hydroxymethyl)-4-methyl-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-carbonitrile CAS Name: (2R,3S,4S,5S)-3-hydroxy-2-(hydroxymethyl)-4-methyl-5-(6-oxo-3H-purin-9-yl)-2-oxolanecarbonitrile IUPAC Name: (2R,3S,4S,5S)-3-hydroxy-2-(hydroxymethyl)-4-methyl-5-(6-oxo-3H-purin-9-yl)oxolane-2-carbonitrile Traditional Name: (2R,3S,4S,5S)-3-hydroxy-5-(6-keto-3H-purin-9-yl)-4-methyl-2-methylol-tetrahydrofuran-2-carbonitrile Formula: C12H13N5O4 MolecularWeight: 291.26272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(OC1N2C=NC3=C2NC=NC3=O)(CO)C#N)O

Isomeric SMILES

C[C@H]1[C@@H]([C@](O[C@@H]1N2C=NC3=C2NC=NC3=O)(CO)C#N)O

InChI

InChI=1S/C12H13N5O4/c1-6-8(19)12(2-13,3-18)21-11(6)17-5-16-7-9(17)14-4-15-10(7)20/h4-6,8,11,18-19H,3H2,1H3,(H,14,15,20)/t6-,8-,11-,12+/m0/s1