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

Systemtic Name: 3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-8-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-7-propyl-purine-2,6-dione CAS Name: 3-methyl-8-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-7-propylpurine-2,6-dione Traditional Name: 3-methyl-8-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-7-propyl-xanthine Formula: C24H29N6O2+ MolecularWeight: 433.52606

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54)N(C(=O)NC2=O)C

InChI

InChI=1S/C24H28N6O2/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/h4-10H,3,11-16H2,1-2H3,(H,26,31,32)/p+1