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

Systemtic Name: 7-(3-azanyl-3-morpholin-4-ium-4-ylidene-propyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(3-amino-3-morpholin-4-ium-4-ylidene-propyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-amino-3-(4-morpholin-4-iumylidene)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(3-amino-3-morpholin-4-ium-4-ylidenepropyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-amino-3-morpholin-4-ium-4-ylidene-propyl)-1,3-dimethyl-xanthine Formula: C14H21N6O3+ MolecularWeight: 321.35494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N6O3/c1-17-12-11(13(21)18(2)14(17)22)20(9-16-12)4-3-10(15)19-5-7-23-8-6-19/h9,15H,3-8H2,1-2H3/p+1