2-azanyl-5-[(1R,2S,4R)-4-(hydroxymethyl)-2-oxidanyl-cyclohexyl]-1H-pyrimidin-6-one

Systemtic Name: 2-azanyl-5-[(1R,2S,4R)-4-(hydroxymethyl)-2-oxidanyl-cyclohexyl]-1H-pyrimidin-6-one Openeye Name: 2-amino-5-[(1R,2S,4R)-2-hydroxy-4-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one CAS Name: 2-amino-5-[(1R,2S,4R)-2-hydroxy-4-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one IUPAC Name: 2-amino-5-[(1R,2S,4R)-2-hydroxy-4-(hydroxymethyl)cyclohexyl]-1H-pyrimidin-6-one Traditional Name: 2-amino-5-[(1R,2S,4R)-2-hydroxy-4-methylol-cyclohexyl]-1H-pyrimidin-6-one Formula: C11H17N3O3 MolecularWeight: 239.27098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1CO)O)C2=CN=C(NC2=O)N

Isomeric SMILES

C1C[C@@H]([C@H](C[C@@H]1CO)O)C2=CN=C(NC2=O)N

InChI

InChI=1S/C11H17N3O3/c12-11-13-4-8(10(17)14-11)7-2-1-6(5-15)3-9(7)16/h4,6-7,9,15-16H,1-3,5H2,(H3,12,13,14,17)/t6-,7-,9+/m1/s1