8-(3,3-diphenylpropylamino)-7-(2-methoxyethyl)-3-methyl-5H-purin-7-ium-2,6-dione

Systemtic Name: 8-(3,3-diphenylpropylamino)-7-(2-methoxyethyl)-3-methyl-5H-purin-7-ium-2,6-dione Openeye Name: 8-(3,3-diphenylpropylamino)-7-(2-methoxyethyl)-3-methyl-5H-purin-7-ium-2,6-dione CAS Name: 8-(3,3-diphenylpropylamino)-7-(2-methoxyethyl)-3-methyl-5H-purin-7-ium-2,6-dione IUPAC Name: 8-(3,3-diphenylpropylamino)-7-(2-methoxyethyl)-3-methyl-5H-purin-7-ium-2,6-dione Traditional Name: 8-(3,3-diphenylpropylamino)-7-(2-methoxyethyl)-3-methyl-5H-purin-7-ium-2,6-quinone Formula: C24H28N5O3+ MolecularWeight: 434.51082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=[N+](C2C(=O)NC1=O)CCOC)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=NC(=[N+](C2C(=O)NC1=O)CCOC)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O3/c1-28-21-20(22(30)27-24(28)31)29(15-16-32-2)23(26-21)25-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3,(H,27,30,31)/p+1