1,3-dimethyl-6-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrolo[3,4-d]pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-6-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-6-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-6-[3-(4-morpholin-4-iumyl)propyl]-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-6-(3-morpholin-4-ium-4-ylpropyl)-5-phenylpyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=CC=C3)CCC[NH+]4CCOCC4

Isomeric SMILES

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=CC=C3)CCC[NH+]4CCOCC4

InChI

InChI=1S/C21H26N4O3/c1-22-17-15-25(10-6-9-24-11-13-28-14-12-24)19(16-7-4-3-5-8-16)18(17)20(26)23(2)21(22)27/h3-5,7-8,15H,6,9-14H2,1-2H3/p+1