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

Systemtic Name: 7-hexyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione Openeye Name: 7-hexyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-purine-2,6-dione CAS Name: 7-hexyl-8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methylpurine-2,6-dione IUPAC Name: 7-hexyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methylpurine-2,6-dione Traditional Name: 7-hexyl-8-[4-(4-methoxyphenyl)piperazino]-3-methyl-xanthine Formula: C23H32N6O3 MolecularWeight: 440.53858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C23H32N6O3/c1-4-5-6-7-12-29-19-20(26(2)23(31)25-21(19)30)24-22(29)28-15-13-27(14-16-28)17-8-10-18(32-3)11-9-17/h8-11H,4-7,12-16H2,1-3H3,(H,25,30,31)