4-azanyl-1-[(1R,2S,3S,4S,5S,6R)-3-methoxy-2,4,5,6-tetrakis(oxidanyl)cyclohexyl]pyrimidin-2-one; (E)-but-2-enedioic acid

Systemtic Name: 4-azanyl-1-[(1R,2S,3S,4S,5S,6R)-3-methoxy-2,4,5,6-tetrakis(oxidanyl)cyclohexyl]pyrimidin-2-one; (E)-but-2-enedioic acid Openeye Name: 4-amino-1-[(1R,2R,3S,4S,5S,6S)-2,3,4,6-tetrahydroxy-5-methoxy-cyclohexyl]pyrimidin-2-one; fumaric acid CAS Name: 4-amino-1-[(1R,2R,3S,4S,5S,6S)-2,3,4,6-tetrahydroxy-5-methoxycyclohexyl]-2-pyrimidinone; (E)-2-butenedioic acid IUPAC Name: 4-amino-1-[(1R,2R,3S,4S,5S,6S)-2,3,4,6-tetrahydroxy-5-methoxycyclohexyl]pyrimidin-2-one; (E)-but-2-enedioic acid Traditional Name: 4-amino-1-[(1R,2R,3S,4S,5S,6S)-2,3,4,6-tetrahydroxy-5-methoxy-cyclohexyl]pyrimidin-2-one; fumaric acid Formula: C15H21N3O10 MolecularWeight: 403.34134

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(C1O)O)O)N2C=CC(=NC2=O)N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CO[C@H]1[C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)N2C=CC(=NC2=O)N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H17N3O6.C4H4O4/c1-20-10-7(16)5(6(15)8(17)9(10)18)14-3-2-4(12)13-11(14)19;5-3(6)1-2-4(7)8/h2-3,5-10,15-18H,1H3,(H2,12,13,19);1-2H,(H,5,6)(H,7,8)/b;2-1+/t5-,6-,7+,8+,9+,10+;/m1./s1