4,7,8-trimethyl-6-(3-morpholin-4-ium-4-ylpropyl)-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 4,7,8-trimethyl-6-(3-morpholin-4-ium-4-ylpropyl)-2-prop-2-enyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-allyl-4,7,8-trimethyl-6-(3-morpholin-4-ium-4-ylpropyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7,8-trimethyl-6-[3-(4-morpholin-4-iumyl)propyl]-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7,8-trimethyl-6-(3-morpholin-4-ium-4-ylpropyl)-2-prop-2-enylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-allyl-4,7,8-trimethyl-6-(3-morpholin-4-ium-4-ylpropyl)purin[7,8-a]imidazole-1,3-quinone Formula: C20H29N6O3+ MolecularWeight: 401.48266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1CCC[NH+]4CCOCC4)N(C(=O)N(C3=O)CC=C)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1CCC[NH+]4CCOCC4)N(C(=O)N(C3=O)CC=C)C)C

InChI

InChI=1S/C20H28N6O3/c1-5-7-25-18(27)16-17(22(4)20(25)28)21-19-24(14(2)15(3)26(16)19)9-6-8-23-10-12-29-13-11-23/h5H,1,6-13H2,2-4H3/p+1