3-[3-[3,4-dimethyl-5-(phosphanyloxymethyl)oxolan-2-yl]-6-oxidanylidene-1,7-dihydropurin-3-ium-8-yl]-1-methyl-pyrrole-2,5-dione

Systemtic Name: 3-[3-[3,4-dimethyl-5-(phosphanyloxymethyl)oxolan-2-yl]-6-oxidanylidene-1,7-dihydropurin-3-ium-8-yl]-1-methyl-pyrrole-2,5-dione Openeye Name: 3-[3-[3,4-dimethyl-5-(phosphanyloxymethyl)tetrahydrofuran-2-yl]-6-oxo-1,7-dihydropurin-3-ium-8-yl]-1-methyl-pyrrole-2,5-dione CAS Name: 3-[3-[3,4-dimethyl-5-(phosphinooxymethyl)-2-oxolanyl]-6-oxo-1,7-dihydropurin-3-ium-8-yl]-1-methylpyrrole-2,5-dione IUPAC Name: 3-[3-[3,4-dimethyl-5-(phosphanyloxymethyl)oxolan-2-yl]-6-oxo-1,7-dihydropurin-3-ium-8-yl]-1-methylpyrrole-2,5-dione Traditional Name: 3-[3-[3,4-dimethyl-5-(phosphinooxymethyl)tetrahydrofuran-2-yl]-6-keto-1,7-dihydropurin-3-ium-8-yl]-1-methyl-3-pyrroline-2,5-quinone Formula: C17H21N5O5P+ MolecularWeight: 406.352901

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(OC1COP)[N+]2=CNC(=O)C3=C2N=C(N3)C4=CC(=O)N(C4=O)C)C

Isomeric SMILES

CC1C(C(OC1COP)[N+]2=CNC(=O)C3=C2N=C(N3)C4=CC(=O)N(C4=O)C)C

InChI

InChI=1S/C17H20N5O5P/c1-7-8(2)17(27-10(7)5-26-28)22-6-18-15(24)12-14(22)20-13(19-12)9-4-11(23)21(3)16(9)25/h4,6-8,10,17H,5,28H2,1-3H3,(H,19,20,23,24)/p+1