7-hexyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-hexyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-hexyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-hexyl-8-[4-(4-methoxyphenyl)-1-piperazinyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-hexyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-hexyl-8-[4-(4-methoxyphenyl)piperazino]-1,3-dimethyl-xanthine Formula: C24H34N6O3 MolecularWeight: 454.56516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C24H34N6O3/c1-5-6-7-8-13-30-20-21(26(2)24(32)27(3)22(20)31)25-23(30)29-16-14-28(15-17-29)18-9-11-19(33-4)12-10-18/h9-12H,5-8,13-17H2,1-4H3