1,3-dimethyl-7-[(4-methylpiperidin-1-ium-1-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-methylpiperidin-1-ium-1-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(4-methylpiperidin-1-ium-1-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methyl-1-piperidin-1-iumyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylpiperidin-1-ium-1-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(4-methylpiperidin-1-ium-1-yl)methyl]xanthine Formula: C14H22N5O2+ MolecularWeight: 292.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CC[NH+](CC1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C14H21N5O2/c1-10-4-6-18(7-5-10)9-19-8-15-12-11(19)13(20)17(3)14(21)16(12)2/h8,10H,4-7,9H2,1-3H3/p+1