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

Systemtic Name: 8-[4-[2-(1,2-dimethylindol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-[4-[2-(1,2-dimethylindol-3-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-[4-[2-(1,2-dimethyl-3-indolyl)-2-oxoethyl]-1-piperazin-4-iumyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-[4-[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-[4-[2-(1,2-dimethylindol-3-yl)-2-keto-ethyl]piperazin-4-ium-1-yl]-3-methyl-7-propyl-xanthine Formula: C25H32N7O3+ MolecularWeight: 478.56668

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CC[NH+](CC3)CC(=O)C4=C(N(C5=CC=CC=C54)C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=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/C25H31N7O3/c1-5-10-32-21-22(29(4)25(35)27-23(21)34)26-24(32)31-13-11-30(12-14-31)15-19(33)20-16(2)28(3)18-9-7-6-8-17(18)20/h6-9H,5,10-15H2,1-4H3,(H,27,34,35)/p+1