4-azanyl-1-[(1R,3R,4S)-4-(hydroxymethyl)-3-oxidanyl-cyclohexyl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(1R,3R,4S)-4-(hydroxymethyl)-3-oxidanyl-cyclohexyl]pyrimidin-2-one Openeye Name: 4-amino-1-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]pyrimidin-2-one CAS Name: 4-amino-1-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclohexyl]pyrimidin-2-one Traditional Name: 4-amino-1-[(1R,3R,4S)-3-hydroxy-4-methylol-cyclohexyl]pyrimidin-2-one Formula: C11H17N3O3 MolecularWeight: 239.27098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CC1N2C=CC(=NC2=O)N)O)CO

Isomeric SMILES

C1C[C@H]([C@@H](C[C@@H]1N2C=CC(=NC2=O)N)O)CO

InChI

InChI=1S/C11H17N3O3/c12-10-3-4-14(11(17)13-10)8-2-1-7(6-15)9(16)5-8/h3-4,7-9,15-16H,1-2,5-6H2,(H2,12,13,17)/t7-,8+,9+/m0/s1