3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]purine-2,6-dione CAS Name: 3-methyl-8-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]xanthine Formula: C24H27N6O2+ MolecularWeight: 431.51018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54)CC=C

InChI

InChI=1S/C24H26N6O2/c1-3-11-30-20-21(27(2)24(32)26-22(20)31)25-23(30)29-14-12-28(13-15-29)16-18-9-6-8-17-7-4-5-10-19(17)18/h3-10H,1,11-16H2,2H3,(H,26,31,32)/p+1