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

Systemtic Name: 3-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-phenethyl-purine-2,6-dione Openeye Name: 3-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-phenethyl-purine-2,6-dione CAS Name: 3-methyl-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-7-phenethylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-phenethylpurine-2,6-dione Traditional Name: 3-methyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-phenethyl-xanthine Formula: C20H27N6O2+ MolecularWeight: 383.46738

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)NC(=O)N3C

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=NC3=C(N2CCC4=CC=CC=C4)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H26N6O2/c1-23-10-12-25(13-11-23)14-16-21-18-17(19(27)22-20(28)24(18)2)26(16)9-8-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3,(H,22,27,28)/p+1