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

Systemtic Name: 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-8-morpholin-4-ium-4-ylidene-5H-purine-2,6-dione Openeye Name: 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-8-morpholin-4-ium-4-ylidene-5H-purine-2,6-dione CAS Name: 7-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethyl]-3-methyl-8-(4-morpholin-4-iumylidene)-5H-purine-2,6-dione IUPAC Name: 7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-3-methyl-8-morpholin-4-ium-4-ylidene-5H-purine-2,6-dione Traditional Name: 7-[2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl]-3-methyl-8-morpholin-4-ium-4-ylidene-5H-purine-2,6-quinone Formula: C18H24N7O3S+ MolecularWeight: 418.49326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCN2C3C(=O)NC(=O)N(C3=NC2=[N+]4CCOCC4)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCN2C3C(=O)NC(=O)N(C3=NC2=[N+]4CCOCC4)C)C

InChI

InChI=1S/C18H23N7O3S/c1-11-10-12(2)20-16(19-11)29-9-6-25-13-14(23(3)18(27)22-15(13)26)21-17(25)24-4-7-28-8-5-24/h10,13H,4-9H2,1-3H3/p+1