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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-4-methyl-purino[8,7-b][1,3]thiazole-1,3-dione Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-4-methyl-purino[8,7-b]thiazole-1,3-dione CAS Name: 8-(1-azepan-1-iumylmethyl)-4-methylpurino[8,7-b]thiazole-1,3-dione IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-4-methylpurino[8,7-b][1,3]thiazole-1,3-dione Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-4-methyl-purino[8,7-b]thiazole-1,3-quinone Formula: C15H20N5O2S+ MolecularWeight: 334.4166

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N3C(=CSC3=N2)C[NH+]4CCCCCC4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N3C(=CSC3=N2)C[NH+]4CCCCCC4

InChI

InChI=1S/C15H19N5O2S/c1-18-12-11(13(21)17-14(18)22)20-10(9-23-15(20)16-12)8-19-6-4-2-3-5-7-19/h9H,2-8H2,1H3,(H,17,21,22)/p+1