8-[4-[2-[(5-bromanyl-2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-methyl-6-oxidanylidene-7-propyl-purin-2-olate

Systemtic Name: 8-[4-[2-[(5-bromanyl-2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-methyl-6-oxidanylidene-7-propyl-purin-2-olate Openeye Name: 8-[4-[2-[(5-bromo-2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-methyl-6-oxo-7-propyl-purin-2-olate CAS Name: 8-[4-[2-[(5-bromo-2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]-1-piperazin-4-iumyl]-3-methyl-6-oxo-7-propyl-2-purinolate IUPAC Name: 8-[4-[2-[(5-bromo-2-methoxycarbonyl-1H-indol-3-yl)amino]-2-oxoethyl]piperazin-4-ium-1-yl]-3-methyl-6-oxo-7-propylpurin-2-olate Traditional Name: 8-[4-[2-[(5-bromo-2-carbomethoxy-1H-indol-3-yl)amino]-2-keto-ethyl]piperazin-4-ium-1-yl]-6-keto-3-methyl-7-propyl-purin-2-olate Formula: C25H29BrN8O5 MolecularWeight: 601.45236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CC[NH+](CC3)CC(=O)NC4=C(NC5=C4C=C(C=C5)Br)C(=O)OC)N(C(=NC2=O)[O-])C

Isomeric SMILES

CCCN1C2=C(N=C1N3CC[NH+](CC3)CC(=O)NC4=C(NC5=C4C=C(C=C5)Br)C(=O)OC)N(C(=NC2=O)[O-])C

InChI

InChI=1S/C25H29BrN8O5/c1-4-7-34-20-21(31(2)25(38)30-22(20)36)29-24(34)33-10-8-32(9-11-33)13-17(35)28-18-15-12-14(26)5-6-16(15)27-19(18)23(37)39-3/h5-6,12,27H,4,7-11,13H2,1-3H3,(H,28,35)(H,30,36,38)