4-azanyl-1-[2,3,6-tris(oxidanyl)cyclohexyl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[2,3,6-tris(oxidanyl)cyclohexyl]pyrimidin-2-one Openeye Name: 4-amino-1-(2,3,6-trihydroxycyclohexyl)pyrimidin-2-one CAS Name: 4-amino-1-(2,3,6-trihydroxycyclohexyl)-2-pyrimidinone IUPAC Name: 4-amino-1-(2,3,6-trihydroxycyclohexyl)pyrimidin-2-one Traditional Name: 4-amino-1-(2,3,6-trihydroxycyclohexyl)pyrimidin-2-one Formula: C10H15N3O4 MolecularWeight: 241.2438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N3O4/c11-7-3-4-13(10(17)12-7)8-5(14)1-2-6(15)9(8)16/h3-6,8-9,14-16H,1-2H2,(H2,11,12,17)