8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-3-methyl-5H-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-3-methyl-5H-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-3-methyl-5H-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperidin-1-iumylidene)-7-[3-[(4,6-dimethyl-2-pyrimidinyl)thio]propyl]-3-methyl-5H-purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-7-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-3-methyl-5H-purine-2,6-dione Traditional Name: 8-(3,5-dimethylpiperidin-1-ium-1-ylidene)-7-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propyl]-3-methyl-5H-purine-2,6-quinone Formula: C22H32N7O2S+ MolecularWeight: 458.60018

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[N+](=C2N=C3C(N2CCCSC4=NC(=CC(=N4)C)C)C(=O)NC(=O)N3C)C1)C

Isomeric SMILES

CC1CC(C[N+](=C2N=C3C(N2CCCSC4=NC(=CC(=N4)C)C)C(=O)NC(=O)N3C)C1)C

InChI

InChI=1S/C22H31N7O2S/c1-13-9-14(2)12-28(11-13)21-25-18-17(19(30)26-22(31)27(18)5)29(21)7-6-8-32-20-23-15(3)10-16(4)24-20/h10,13-14,17H,6-9,11-12H2,1-5H3/p+1