8-[4-[2-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-[4-[2-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 8-[4-[2-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-[4-[2-(5-methoxy-1,2-dimethyl-3-indolyl)-2-oxoethyl]-1-piperazin-4-iumyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 8-[4-[2-(5-methoxy-1,2-dimethylindol-3-yl)-2-oxoethyl]piperazin-4-ium-1-yl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 8-[4-[2-keto-2-(5-methoxy-1,2-dimethyl-indol-3-yl)ethyl]piperazin-4-ium-1-yl]-3-methyl-7-propyl-xanthine Formula: C26H34N7O4+ MolecularWeight: 508.59266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CC[NH+](CC3)CC(=O)C4=C(N(C5=C4C=C(C=C5)OC)C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N3CC[NH+](CC3)CC(=O)C4=C(N(C5=C4C=C(C=C5)OC)C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H33N7O4/c1-6-9-33-22-23(30(4)26(36)28-24(22)35)27-25(33)32-12-10-31(11-13-32)15-20(34)21-16(2)29(3)19-8-7-17(37-5)14-18(19)21/h7-8,14H,6,9-13,15H2,1-5H3,(H,28,35,36)/p+1