4-methyl-2-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4-methyl-2-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 4-methyl-2-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 4-methyl-2-[2-(4-morpholin-4-iumyl)ethyl]-6-phenyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-methyl-2-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 4-methyl-2-(2-morpholin-4-ium-4-ylethyl)-6-phenyl-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C20H25N6O3+ MolecularWeight: 397.4509

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCOCC3)N4CCN(C4=N2)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCOCC3)N4CCN(C4=N2)C5=CC=CC=C5

InChI

InChI=1S/C20H24N6O3/c1-22-17-16(18(27)26(20(22)28)8-7-23-11-13-29-14-12-23)25-10-9-24(19(25)21-17)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3/p+1