4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[8,7-b][1,3]oxazole-1,3-dione

Systemtic Name: 4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[8,7-b][1,3]oxazole-1,3-dione Openeye Name: 4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[8,7-b]oxazole-1,3-dione CAS Name: 4,7-dimethyl-2-[2-(1-piperidin-1-iumyl)ethyl]purino[8,7-b]oxazole-1,3-dione IUPAC Name: 4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[8,7-b][1,3]oxazole-1,3-dione Traditional Name: 4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[8,7-b]oxazole-1,3-quinone Formula: C16H22N5O3+ MolecularWeight: 332.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2O1)N(C(=O)N(C3=O)CC[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CN2C3=C(N=C2O1)N(C(=O)N(C3=O)CC[NH+]4CCCCC4)C

InChI

InChI=1S/C16H21N5O3/c1-11-10-21-12-13(17-15(21)24-11)18(2)16(23)20(14(12)22)9-8-19-6-4-3-5-7-19/h10H,3-9H2,1-2H3/p+1