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

Systemtic Name: (2R,3S,4S,5S)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)-4-methyl-3-oxidanyl-oxolane-2-carbonitrile Openeye Name: (2R,3S,4S,5S)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyl-tetrahydrofuran-2-carbonitrile CAS Name: (2R,3S,4S,5S)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyl-2-oxolanecarbonitrile IUPAC Name: (2R,3S,4S,5S)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-(hydroxymethyl)-4-methyloxolane-2-carbonitrile Traditional Name: (2R,3S,4S,5S)-5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-4-methyl-2-methylol-tetrahydrofuran-2-carbonitrile Formula: C12H14N6O4 MolecularWeight: 306.27736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N6O4/c1-5-7(20)12(2-13,3-19)22-10(5)18-4-15-6-8(18)16-11(14)17-9(6)21/h4-5,7,10,19-20H,3H2,1H3,(H3,14,16,17,21)/t5-,7-,10-,12+/m0/s1