1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholin-4-iumylmethyl)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C15H24N5O3+ MolecularWeight: 322.38276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCOCC3

Isomeric SMILES

CC(C)N1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCOCC3

InChI

InChI=1S/C15H23N5O3/c1-10(2)20-11(9-19-5-7-23-8-6-19)16-13-12(20)14(21)18(4)15(22)17(13)3/h10H,5-9H2,1-4H3/p+1