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

Systemtic Name: 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-8-piperidin-1-ium-1-ylidene-5H-purine-2,6-dione Openeye Name: 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-8-piperidin-1-ium-1-ylidene-5H-purine-2,6-dione CAS Name: 7-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethyl]-3-methyl-8-(1-piperidin-1-iumylidene)-5H-purine-2,6-dione IUPAC Name: 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-8-piperidin-1-ium-1-ylidene-5H-purine-2,6-dione Traditional Name: 7-[2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl]-3-methyl-8-piperidin-1-ium-1-ylidene-5H-purine-2,6-quinone Formula: C19H26N7O2S+ MolecularWeight: 416.52044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCN2C3C(=O)NC(=O)N(C3=NC2=[N+]4CCCCC4)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCN2C3C(=O)NC(=O)N(C3=NC2=[N+]4CCCCC4)C)C

InChI

InChI=1S/C19H25N7O2S/c1-12-11-13(2)21-17(20-12)29-10-9-26-14-15(24(3)19(28)23-16(14)27)22-18(26)25-7-5-4-6-8-25/h11,14H,4-10H2,1-3H3/p+1