7-ethyl-3-methyl-8-(4-phenethylpiperazin-4-ium-1-yl)purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CC[NH+](CC3)CCC4=CC=CC=C4)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N3CC[NH+](CC3)CCC4=CC=CC=C4)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H26N6O2/c1-3-26-16-17(23(2)20(28)22-18(16)27)21-19(26)25-13-11-24(12-14-25)10-9-15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3,(H,22,27,28)/p+1