6-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]hexyl methyl [(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl phosphate

Systemtic Name: 6-[7,8-dimethyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]hexyl methyl [(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl phosphate Openeye Name: 6-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)hexyl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl methyl phosphate CAS Name: phosphoric acid 6-(7,8-dimethyl-2,4-dioxo-10-benzo[g]pteridinyl)hexyl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl methyl ester IUPAC Name: 6-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)hexyl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl methyl phosphate Traditional Name: phosphoric acid 6-(2,4-diketo-7,8-dimethyl-benzo[g]pteridin-10-yl)hexyl [(2R,3S,5R)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl methyl ester Formula: C29H37N6O10P MolecularWeight: 660.612041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CCCCCCOP(=O)(OC)OCC4C(CC(O4)N5C=C(C(=O)NC5=O)C)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CCCCCCOP(=O)(OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=C(C(=O)NC5=O)C)O

InChI

InChI=1S/C29H37N6O10P/c1-16-11-19-20(12-17(16)2)34(25-24(30-19)27(38)32-28(39)31-25)9-7-5-6-8-10-43-46(41,42-4)44-15-22-21(36)13-23(45-22)35-14-18(3)26(37)33-29(35)40/h11-12,14,21-23,36H,5-10,13,15H2,1-4H3,(H,32,38,39)(H,33,37,40)/t21-,22+,23+,46?/m0/s1