(4R)-4-(3,5-dimethoxyphenyl)-1-methyl-6-(2-pyrrolidin-1-ium-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione

Systemtic Name: (4R)-4-(3,5-dimethoxyphenyl)-1-methyl-6-(2-pyrrolidin-1-ium-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Openeye Name: (4R)-4-(3,5-dimethoxyphenyl)-1-methyl-6-(2-pyrrolidin-1-ium-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: (4R)-4-(3,5-dimethoxyphenyl)-1-methyl-6-[2-(1-pyrrolidin-1-iumyl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: (4R)-4-(3,5-dimethoxyphenyl)-1-methyl-6-(2-pyrrolidin-1-ium-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Traditional Name: (4R)-4-(3,5-dimethoxyphenyl)-1-methyl-6-(2-pyrrolidin-1-ium-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C21H29N4O4+ MolecularWeight: 401.47936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(NC1=O)C3=CC(=CC(=C3)OC)OC)C(=O)N(C2)CC[NH+]4CCCC4

Isomeric SMILES

CN1C2=C([C@H](NC1=O)C3=CC(=CC(=C3)OC)OC)C(=O)N(C2)CC[NH+]4CCCC4

InChI

InChI=1S/C21H28N4O4/c1-23-17-13-25(9-8-24-6-4-5-7-24)20(26)18(17)19(22-21(23)27)14-10-15(28-2)12-16(11-14)29-3/h10-12,19H,4-9,13H2,1-3H3,(H,22,27)/p+1/t19-/m1/s1