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

Systemtic Name: 6-cyclopentyl-4,7,8-trimethyl-2-(2-morpholin-4-ium-4-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-cyclopentyl-4,7,8-trimethyl-2-(2-morpholin-4-ium-4-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-cyclopentyl-4,7,8-trimethyl-2-[2-(4-morpholin-4-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-cyclopentyl-4,7,8-trimethyl-2-(2-morpholin-4-ium-4-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-cyclopentyl-4,7,8-trimethyl-2-(2-morpholin-4-ium-4-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H31N6O3+ MolecularWeight: 415.50924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4CCCC4)N(C(=O)N(C3=O)CC[NH+]5CCOCC5)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4CCCC4)N(C(=O)N(C3=O)CC[NH+]5CCOCC5)C)C

InChI

InChI=1S/C21H30N6O3/c1-14-15(2)27-17-18(22-20(27)26(14)16-6-4-5-7-16)23(3)21(29)25(19(17)28)9-8-24-10-12-30-13-11-24/h16H,4-13H2,1-3H3/p+1