3-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methylamino]-4-oxidanyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methylamino]-4-hydroxy-cyclobut-3-ene-1,2-dione CAS Name: 3-[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methylamino]-4-hydroxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methylamino]-4-hydroxycyclobut-3-ene-1,2-dione Traditional Name: 3-[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methylamino]-4-hydroxy-cyclobut-3-ene-1,2-quinone Formula: C13H14N4O6 MolecularWeight: 322.27346

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=CC(=NC2=O)N)CNC3=C(C(=O)C3=O)O)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CNC3=C(C(=O)C3=O)O)O

InChI

InChI=1S/C13H14N4O6/c14-7-1-2-17(13(22)16-7)8-3-5(18)6(23-8)4-15-9-10(19)12(21)11(9)20/h1-2,5-6,8,15,18-19H,3-4H2,(H2,14,16,22)/t5-,6+,8+/m0/s1