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

Systemtic Name: 7-(4-azanyl-4-morpholin-4-ium-4-ylidene-butyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(4-amino-4-morpholin-4-ium-4-ylidene-butyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-amino-4-(4-morpholin-4-iumylidene)butyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(4-amino-4-morpholin-4-ium-4-ylidenebutyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-amino-4-morpholin-4-ium-4-ylidene-butyl)-1,3-dimethyl-xanthine Formula: C15H23N6O3+ MolecularWeight: 335.38152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N6O3/c1-18-13-12(14(22)19(2)15(18)23)21(10-17-13)5-3-4-11(16)20-6-8-24-9-7-20/h10,16H,3-9H2,1-2H3/p+1