3,7-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione CAS Name: 3,7-dimethyl-8-(4-methyl-1-piperazin-4-iumyl)-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)purine-2,6-dione Traditional Name: 1-benzyl-3,7-dimethyl-8-(4-methylpiperazin-4-ium-1-yl)xanthine Formula: C19H25N6O2+ MolecularWeight: 369.4408

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4

InChI

InChI=1S/C19H24N6O2/c1-21-9-11-24(12-10-21)18-20-16-15(22(18)2)17(26)25(19(27)23(16)3)13-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3/p+1