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

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-(4-morpholin-4-iumylmethyl)purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-(morpholin-4-ium-4-ylmethyl)xanthine Formula: C14H22N5O3+ MolecularWeight: 308.35618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCOCC3

Isomeric SMILES

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CCOCC3

InChI

InChI=1S/C14H21N5O3/c1-4-19-10(9-18-5-7-22-8-6-18)15-12-11(19)13(20)17(3)14(21)16(12)2/h4-9H2,1-3H3/p+1