2-azanyl-9-[[(2R,3S,4S)-3,4-bis(hydroxymethyl)oxetan-2-yl]methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[[(2R,3S,4S)-3,4-bis(hydroxymethyl)oxetan-2-yl]methyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[(2R,3S,4S)-3,4-bis(hydroxymethyl)oxetan-2-yl]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[[(2R,3S,4S)-3,4-bis(hydroxymethyl)-2-oxetanyl]methyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[[(2R,3S,4S)-3,4-bis(hydroxymethyl)oxetan-2-yl]methyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[(2R,3S,4S)-3,4-dimethyloloxetan-2-yl]methyl]-3H-purin-6-one Formula: C11H15N5O4 MolecularWeight: 281.2679

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC3C(C(O3)CO)CO)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C[C@H]3[C@@H]([C@H](O3)CO)CO)NC(=NC2=O)N

InChI

InChI=1S/C11H15N5O4/c12-11-14-9-8(10(19)15-11)13-4-16(9)1-6-5(2-17)7(3-18)20-6/h4-7,17-18H,1-3H2,(H3,12,14,15,19)/t5-,6-,7+/m0/s1