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

Systemtic Name: 1,3-dimethyl-5-phenyl-6-[4-(piperidin-1-ium-1-ylmethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-5-phenyl-6-[4-(piperidin-1-ium-1-ylmethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-phenyl-6-[4-(1-piperidin-1-iumylmethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-5-phenyl-6-[4-(piperidin-1-ium-1-ylmethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-5-phenyl-6-[4-(piperidin-1-ium-1-ylmethyl)phenyl]pyrrolo[3,4-d]pyrimidine-2,4-quinone Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=CC=C3)C4=CC=C(C=C4)C[NH+]5CCCCC5

Isomeric SMILES

CN1C2=CN(C(=C2C(=O)N(C1=O)C)C3=CC=CC=C3)C4=CC=C(C=C4)C[NH+]5CCCCC5

InChI

InChI=1S/C26H28N4O2/c1-27-22-18-30(21-13-11-19(12-14-21)17-29-15-7-4-8-16-29)24(20-9-5-3-6-10-20)23(22)25(31)28(2)26(27)32/h3,5-6,9-14,18H,4,7-8,15-17H2,1-2H3/p+1