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

Systemtic Name: 2-azanyl-9-[(2R,3S,4R)-4-(hydroxymethyl)-3-methyl-3-oxidanyl-thietan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,3S,4R)-3-hydroxy-4-(hydroxymethyl)-3-methyl-thietan-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,3S,4R)-3-hydroxy-4-(hydroxymethyl)-3-methyl-2-thietanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,3S,4R)-3-hydroxy-4-(hydroxymethyl)-3-methylthietan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,3S,4R)-3-hydroxy-3-methyl-4-methylol-thietan-2-yl]-3H-purin-6-one Formula: C10H13N5O3S MolecularWeight: 283.30692

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(SC1N2C=NC3=C2NC(=NC3=O)N)CO)O

Isomeric SMILES

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

InChI

InChI=1S/C10H13N5O3S/c1-10(18)4(2-16)19-8(10)15-3-12-5-6(15)13-9(11)14-7(5)17/h3-4,8,16,18H,2H2,1H3,(H3,11,13,14,17)/t4-,8-,10+/m1/s1