4-azanyl-5-bromanyl-1-[(2R,6S,7R)-7-(hydroxymethyl)-6-oxidanyl-oxepan-2-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-5-bromanyl-1-[(2R,6S,7R)-7-(hydroxymethyl)-6-oxidanyl-oxepan-2-yl]pyrimidin-2-one Openeye Name: 4-amino-5-bromo-1-[(2R,6S,7R)-6-hydroxy-7-(hydroxymethyl)oxepan-2-yl]pyrimidin-2-one CAS Name: 4-amino-5-bromo-1-[(2R,6S,7R)-6-hydroxy-7-(hydroxymethyl)-2-oxepanyl]-2-pyrimidinone IUPAC Name: 4-amino-5-bromo-1-[(2R,6S,7R)-6-hydroxy-7-(hydroxymethyl)oxepan-2-yl]pyrimidin-2-one Traditional Name: 4-amino-5-bromo-1-[(2R,6S,7R)-6-hydroxy-7-methylol-oxepan-2-yl]pyrimidin-2-one Formula: C11H16BrN3O4 MolecularWeight: 334.16644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(OC(C1)N2C=C(C(=NC2=O)N)Br)CO)O

Isomeric SMILES

C1C[C@@H]([C@H](O[C@H](C1)N2C=C(C(=NC2=O)N)Br)CO)O

InChI

InChI=1S/C11H16BrN3O4/c12-6-4-15(11(18)14-10(6)13)9-3-1-2-7(17)8(5-16)19-9/h4,7-9,16-17H,1-3,5H2,(H2,13,14,18)/t7-,8+,9+/m0/s1