7-tert-butyl-4-methyl-2-(2-morpholin-4-ium-4-ylethyl)purino[8,7-b][1,3]oxazole-1,3-dione

Systemtic Name: 7-tert-butyl-4-methyl-2-(2-morpholin-4-ium-4-ylethyl)purino[8,7-b][1,3]oxazole-1,3-dione Openeye Name: 7-tert-butyl-4-methyl-2-(2-morpholin-4-ium-4-ylethyl)purino[8,7-b]oxazole-1,3-dione CAS Name: 7-tert-butyl-4-methyl-2-[2-(4-morpholin-4-iumyl)ethyl]purino[8,7-b]oxazole-1,3-dione IUPAC Name: 7-tert-butyl-4-methyl-2-(2-morpholin-4-ium-4-ylethyl)purino[8,7-b][1,3]oxazole-1,3-dione Traditional Name: 7-tert-butyl-4-methyl-2-(2-morpholin-4-ium-4-ylethyl)purino[8,7-b]oxazole-1,3-quinone Formula: C18H26N5O4+ MolecularWeight: 376.43014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN2C3=C(N=C2O1)N(C(=O)N(C3=O)CC[NH+]4CCOCC4)C

Isomeric SMILES

CC(C)(C)C1=CN2C3=C(N=C2O1)N(C(=O)N(C3=O)CC[NH+]4CCOCC4)C

InChI

InChI=1S/C18H25N5O4/c1-18(2,3)12-11-23-13-14(19-16(23)27-12)20(4)17(25)22(15(13)24)6-5-21-7-9-26-10-8-21/h11H,5-10H2,1-4H3/p+1