8-[4-[2-(1,2-dimethylindol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-7-ethyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-[4-[2-(1,2-dimethylindol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-7-ethyl-3-methyl-purine-2,6-dione Openeye Name: 8-[4-[2-(1,2-dimethylindol-3-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-[4-[2-(1,2-dimethyl-3-indolyl)-2-oxoethyl]-1-piperazin-4-iumyl]-7-ethyl-3-methylpurine-2,6-dione IUPAC Name: 8-[4-[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-7-ethyl-3-methylpurine-2,6-dione Traditional Name: 8-[4-[2-(1,2-dimethylindol-3-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-7-ethyl-3-methyl-xanthine Formula: C24H30N7O3+ MolecularWeight: 464.5401

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CC[NH+](CC3)CC(=O)C4=C(N(C5=CC=CC=C54)C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N3CC[NH+](CC3)CC(=O)C4=C(N(C5=CC=CC=C54)C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C24H29N7O3/c1-5-31-20-21(28(4)24(34)26-22(20)33)25-23(31)30-12-10-29(11-13-30)14-18(32)19-15(2)27(3)17-9-7-6-8-16(17)19/h6-9H,5,10-14H2,1-4H3,(H,26,33,34)/p+1