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

Systemtic Name: 4-azanyl-1-[(1R,2R)-5,5-bis(hydroxymethyl)-2-oxidanyl-cyclohexyl]pyrimidin-2-one Openeye Name: 4-amino-1-[(1R,2R)-2-hydroxy-5,5-bis(hydroxymethyl)cyclohexyl]pyrimidin-2-one CAS Name: 4-amino-1-[(1R,2R)-2-hydroxy-5,5-bis(hydroxymethyl)cyclohexyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(1R,2R)-2-hydroxy-5,5-bis(hydroxymethyl)cyclohexyl]pyrimidin-2-one Traditional Name: 4-amino-1-[(1R,2R)-2-hydroxy-5,5-dimethylol-cyclohexyl]pyrimidin-2-one Formula: C12H19N3O4 MolecularWeight: 269.29696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1O)N2C=CC(=NC2=O)N)(CO)CO

Isomeric SMILES

C1CC(C[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)(CO)CO

InChI

InChI=1S/C12H19N3O4/c13-10-2-4-15(11(19)14-10)8-5-12(6-16,7-17)3-1-9(8)18/h2,4,8-9,16-18H,1,3,5-7H2,(H2,13,14,19)/t8-,9-/m1/s1