[[(2S,3S,5R)-3-(azanylideneazaniumylideneamino)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]boron

Systemtic Name: [[(2S,3S,5R)-3-(azanylideneazaniumylideneamino)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]boron Openeye Name: [[hydroxy(phosphonooxy)phosphoryl]oxy-[[(2S,3S,5R)-3-(iminoiminioamino)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]boron CAS Name: [[hydroxy(phosphonooxy)phosphoryl]oxy-[[(2S,3S,5R)-3-(iminoiminioamino)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy]phosphoryl]boron IUPAC Name: [[hydroxy(phosphonooxy)phosphoryl]oxy-[[(2S,3S,5R)-3-(iminoazaniumylideneamino)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]boron Traditional Name: [[(2S,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-(iminoiminioamino)tetrahydrofuran-2-yl]methoxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]boron Formula: C10H16BN5O12P3+ MolecularWeight: 501.992623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B]P(=O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)N=[N+]=N)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

[B][P@@](=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=N)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C10H15BN5O12P3/c1-5-3-16(10(18)13-9(5)17)8-2-6(14-15-12)7(26-8)4-25-29(11,19)27-31(23,24)28-30(20,21)22/h3,6-8,12H,2,4H2,1H3,(H3-,13,17,18,20,21,22,23,24)/p+1/t6-,7+,8+,29+/m0/s1