4-azanyl-1-[5-(hydroxymethyl)oxolan-2-yl]-3-methyl-pyrimidin-1-ium-2-one; dimethyl phosphate

Systemtic Name: 4-azanyl-1-[5-(hydroxymethyl)oxolan-2-yl]-3-methyl-pyrimidin-1-ium-2-one; dimethyl phosphate Openeye Name: 4-amino-1-[5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-pyrimidin-1-ium-2-one; dimethyl phosphate CAS Name: 4-amino-1-[5-(hydroxymethyl)-2-oxolanyl]-3-methyl-2-pyrimidin-1-iumone; dimethyl phosphate IUPAC Name: 4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrimidin-1-ium-2-one; dimethyl phosphate Traditional Name: 4-amino-3-methyl-1-(5-methyloltetrahydrofuran-2-yl)pyrimidin-1-ium-2-one; dimethyl phosphate Formula: C12H22N3O7P MolecularWeight: 351.292741

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=[N+](C1=O)C2CCC(O2)CO)N.COP(=O)([O-])OC

Isomeric SMILES

CN1C(=CC=[N+](C1=O)C2CCC(O2)CO)N.COP(=O)([O-])OC

InChI

InChI=1S/C10H15N3O3.C2H7O4P/c1-12-8(11)4-5-13(10(12)15)9-3-2-7(6-14)16-9;1-5-7(3,4)6-2/h4-5,7,9,11,14H,2-3,6H2,1H3;1-2H3,(H,3,4)