4-azanyl-1-[(2R,3R)-7-(hydroxymethyl)-3-oxidanyl-2,3-dihydrooxepin-2-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(2R,3R)-7-(hydroxymethyl)-3-oxidanyl-2,3-dihydrooxepin-2-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[(2R,3R)-3-hydroxy-7-(hydroxymethyl)-2,3-dihydrooxepin-2-yl]pyrimidin-2-one CAS Name: 4-amino-1-[(2R,3R)-3-hydroxy-7-(hydroxymethyl)-2,3-dihydrooxepin-2-yl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(2R,3R)-3-hydroxy-7-(hydroxymethyl)-2,3-dihydrooxepin-2-yl]pyrimidin-2-one Traditional Name: 4-amino-1-[(2R,3R)-3-hydroxy-7-methylol-2,3-dihydrooxepin-2-yl]pyrimidin-2-one Formula: C11H13N3O4 MolecularWeight: 251.23862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(OC(=C1)CO)N2C=CC(=NC2=O)N)O

Isomeric SMILES

C1=C[C@H]([C@@H](OC(=C1)CO)N2C=CC(=NC2=O)N)O

InChI

InChI=1S/C11H13N3O4/c12-9-4-5-14(11(17)13-9)10-8(16)3-1-2-7(6-15)18-10/h1-5,8,10,15-16H,6H2,(H2,12,13,17)/t8-,10-/m1/s1