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

Systemtic Name: 7-(2-azanyl-2-morpholin-4-ium-4-ylidene-ethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(2-amino-2-morpholin-4-ium-4-ylidene-ethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-amino-2-(4-morpholin-4-iumylidene)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(2-amino-2-morpholin-4-ium-4-ylideneethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-amino-2-morpholin-4-ium-4-ylidene-ethyl)-1,3-dimethyl-xanthine Formula: C13H19N6O3+ MolecularWeight: 307.32836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=[N+]3CCOCC3)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=[N+]3CCOCC3)N

InChI

InChI=1S/C13H18N6O3/c1-16-11-10(12(20)17(2)13(16)21)19(8-15-11)7-9(14)18-3-5-22-6-4-18/h8,14H,3-7H2,1-2H3/p+1