4-methyl-8-(piperidin-1-ium-1-ylmethyl)purino[8,7-b][1,3]thiazole-1,3-dione

Systemtic Name: 4-methyl-8-(piperidin-1-ium-1-ylmethyl)purino[8,7-b][1,3]thiazole-1,3-dione Openeye Name: 4-methyl-8-(piperidin-1-ium-1-ylmethyl)purino[8,7-b]thiazole-1,3-dione CAS Name: 4-methyl-8-(1-piperidin-1-iumylmethyl)purino[8,7-b]thiazole-1,3-dione IUPAC Name: 4-methyl-8-(piperidin-1-ium-1-ylmethyl)purino[8,7-b][1,3]thiazole-1,3-dione Traditional Name: 4-methyl-8-(piperidin-1-ium-1-ylmethyl)purino[8,7-b]thiazole-1,3-quinone Formula: C14H18N5O2S+ MolecularWeight: 320.39002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N3C(=CSC3=N2)C[NH+]4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3C(=CSC3=N2)C[NH+]4CCCCC4

InChI

InChI=1S/C14H17N5O2S/c1-17-11-10(12(20)16-13(17)21)19-9(8-22-14(19)15-11)7-18-5-3-2-4-6-18/h8H,2-7H2,1H3,(H,16,20,21)/p+1