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

Systemtic Name: 8-(4-ethylpiperazin-4-ium-1-yl)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-(4-ethylpiperazin-4-ium-1-yl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(4-ethyl-1-piperazin-4-iumyl)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-(4-ethylpiperazin-4-ium-1-yl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-(4-ethylpiperazin-4-ium-1-yl)-3,7-dimethyl-xanthine Formula: C20H27N6O2+ MolecularWeight: 383.46738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O2/c1-4-24-10-12-25(13-11-24)19-21-17-16(22(19)2)18(27)26(20(28)23(17)3)14-15-8-6-5-7-9-15/h5-9H,4,10-14H2,1-3H3/p+1