1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-(3-oxidanylpropyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-(3-oxidanylpropyl)purine-2,6-dione Openeye Name: 7-(3-hydroxypropyl)-1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]purine-2,6-dione CAS Name: 7-(3-hydroxypropyl)-1,3-dimethyl-8-[(4-methyl-1-piperazin-4-iumyl)methyl]purine-2,6-dione IUPAC Name: 7-(3-hydroxypropyl)-1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]purine-2,6-dione Traditional Name: 7-(3-hydroxypropyl)-1,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]xanthine Formula: C16H27N6O3+ MolecularWeight: 351.42398

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=NC3=C(N2CCCO)C(=O)N(C(=O)N3C)C

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=NC3=C(N2CCCO)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H26N6O3/c1-18-6-8-21(9-7-18)11-12-17-14-13(22(12)5-4-10-23)15(24)20(3)16(25)19(14)2/h23H,4-11H2,1-3H3/p+1