[1-[(6R)-2-acetamido-4-oxidanylidene-5-[1-(phenylmethyl)pyridin-1-ium-3-yl]carbonyl-1,6,7,8-tetrahydropteridin-6-yl]-1-acetyloxy-propan-2-yl] ethanoate

Systemtic Name: [1-[(6R)-2-acetamido-4-oxidanylidene-5-[1-(phenylmethyl)pyridin-1-ium-3-yl]carbonyl-1,6,7,8-tetrahydropteridin-6-yl]-1-acetyloxy-propan-2-yl] ethanoate Openeye Name: [2-[(6R)-2-acetamido-5-(1-benzylpyridin-1-ium-3-carbonyl)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]-2-acetoxy-1-methyl-ethyl] acetate CAS Name: acetic acid [1-[(6R)-2-acetamido-4-oxo-5-[oxo-[1-(phenylmethyl)-3-pyridin-1-iumyl]methyl]-1,6,7,8-tetrahydropteridin-6-yl]-1-acetyloxypropan-2-yl] ester IUPAC Name: [1-[(6R)-2-acetamido-5-(1-benzylpyridin-1-ium-3-carbonyl)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]-1-acetyloxypropan-2-yl] acetate Traditional Name: acetic acid [2-[(6R)-2-acetamido-5-(1-benzylpyridin-1-ium-3-carbonyl)-4-keto-1,6,7,8-tetrahydropteridin-6-yl]-2-acetoxy-1-methyl-ethyl] ester Formula: C28H31N6O7+ MolecularWeight: 563.58174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1CNC2=C(N1C(=O)C3=C[N+](=CC=C3)CC4=CC=CC=C4)C(=O)N=C(N2)NC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(C([C@H]1CNC2=C(N1C(=O)C3=C[N+](=CC=C3)CC4=CC=CC=C4)C(=O)N=C(N2)NC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H30N6O7/c1-16(40-18(3)36)24(41-19(4)37)22-13-29-25-23(26(38)32-28(31-25)30-17(2)35)34(22)27(39)21-11-8-12-33(15-21)14-20-9-6-5-7-10-20/h5-12,15-16,22,24H,13-14H2,1-4H3,(H2-,29,30,31,32,35,38)/p+1/t16?,22-,24?/m1/s1