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

Systemtic Name: 7-(4-azanyl-4-piperidin-1-ium-1-ylidene-butyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(4-amino-4-piperidin-1-ium-1-ylidene-butyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-amino-4-(1-piperidin-1-iumylidene)butyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(4-amino-4-piperidin-1-ium-1-ylidenebutyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(4-amino-4-piperidin-1-ium-1-ylidene-butyl)-1,3-dimethyl-xanthine Formula: C16H25N6O2+ MolecularWeight: 333.4087

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=[N+]3CCCCC3)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=[N+]3CCCCC3)N

InChI

InChI=1S/C16H24N6O2/c1-19-14-13(15(23)20(2)16(19)24)22(11-18-14)10-6-7-12(17)21-8-4-3-5-9-21/h11,17H,3-10H2,1-2H3/p+1