1-methyl-3-(2-morpholin-4-ium-4-ylethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 1-methyl-3-(2-morpholin-4-ium-4-ylethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 1-methyl-3-(2-morpholin-4-ium-4-ylethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 1-methyl-3-[2-(4-morpholin-4-iumyl)ethyl]-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 1-methyl-3-(2-morpholin-4-ium-4-ylethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 1-methyl-3-(2-morpholin-4-ium-4-ylethyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C21H27N6O3+ MolecularWeight: 411.47748

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCOCC3)N4CCCN(C4=N2)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCOCC3)N4CCCN(C4=N2)C5=CC=CC=C5

InChI

InChI=1S/C21H26N6O3/c1-23-18-17(19(28)27(21(23)29)11-10-24-12-14-30-15-13-24)26-9-5-8-25(20(26)22-18)16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3/p+1