7-butyl-1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]purine-2,6-dione

Systemtic Name: 7-butyl-1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]purine-2,6-dione Openeye Name: 7-butyl-1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]purine-2,6-dione IUPAC Name: 7-butyl-1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]purine-2,6-dione Traditional Name: 7-butyl-1,3-dimethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]xanthine Formula: C17H30N6O2+2 MolecularWeight: 350.4591

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CC[NH+](CC3)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[NH+]3CC[NH+](CC3)C

InChI

InChI=1S/C17H28N6O2/c1-5-6-7-23-13(12-22-10-8-19(2)9-11-22)18-15-14(23)16(24)21(4)17(25)20(15)3/h5-12H2,1-4H3/p+2