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

Systemtic Name: 2-azanyl-9-[(2R,3S,4S)-3-azido-4-(hydroxymethyl)-3-methyl-thietan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,3S,4S)-3-azido-4-(hydroxymethyl)-3-methyl-thietan-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,3S,4S)-3-azido-4-(hydroxymethyl)-3-methyl-2-thietanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,3S,4S)-3-azido-4-(hydroxymethyl)-3-methylthietan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,3S,4S)-3-azido-3-methyl-4-methylol-thietan-2-yl]-3H-purin-6-one Formula: C10H12N8O2S MolecularWeight: 308.31968

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(SC1N2C=NC3=C2NC(=NC3=O)N)CO)N=[N+]=[N-]

Isomeric SMILES

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

InChI

InChI=1S/C10H12N8O2S/c1-10(16-17-12)4(2-19)21-8(10)18-3-13-5-6(18)14-9(11)15-7(5)20/h3-4,8,19H,2H2,1H3,(H3,11,14,15,20)/t4-,8-,10+/m1/s1