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

Systemtic Name: (4R)-4-(3-methoxyphenyl)-1-methyl-6-(2-morpholin-4-ium-4-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Openeye Name: (4R)-4-(3-methoxyphenyl)-1-methyl-6-(2-morpholin-4-ium-4-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione CAS Name: (4R)-4-(3-methoxyphenyl)-1-methyl-6-[2-(4-morpholin-4-iumyl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione IUPAC Name: (4R)-4-(3-methoxyphenyl)-1-methyl-6-(2-morpholin-4-ium-4-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione Traditional Name: (4R)-4-(3-methoxyphenyl)-1-methyl-6-(2-morpholin-4-ium-4-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-quinone Formula: C20H27N4O4+ MolecularWeight: 387.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(NC1=O)C3=CC(=CC=C3)OC)C(=O)N(C2)CC[NH+]4CCOCC4

Isomeric SMILES

CN1C2=C([C@H](NC1=O)C3=CC(=CC=C3)OC)C(=O)N(C2)CC[NH+]4CCOCC4

InChI

InChI=1S/C20H26N4O4/c1-22-16-13-24(7-6-23-8-10-28-11-9-23)19(25)17(16)18(21-20(22)26)14-4-3-5-15(12-14)27-2/h3-5,12,18H,6-11,13H2,1-2H3,(H,21,26)/p+1/t18-/m1/s1