3-methyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione Openeye Name: 3-methyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione CAS Name: 3-methyl-7-[2-(4-morpholin-4-iumyl)ethyl]purine-2,6-dione IUPAC Name: 3-methyl-7-(2-morpholin-4-ium-4-ylethyl)purine-2,6-dione Traditional Name: 3-methyl-7-(2-morpholin-4-ium-4-ylethyl)xanthine Formula: C12H18N5O3+ MolecularWeight: 280.30302

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CC[NH+]3CCOCC3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CC[NH+]3CCOCC3

InChI

InChI=1S/C12H17N5O3/c1-15-10-9(11(18)14-12(15)19)17(8-13-10)3-2-16-4-6-20-7-5-16/h8H,2-7H2,1H3,(H,14,18,19)/p+1