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

Systemtic Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-nonyl-purine-2,6-dione Openeye Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-[4-(4-methoxyphenyl)piperazino]-3-methyl-7-nonyl-xanthine Formula: C26H38N6O3 MolecularWeight: 482.61832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1N3CCN(CC3)C4=CC=C(C=C4)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H38N6O3/c1-4-5-6-7-8-9-10-15-32-22-23(29(2)26(34)28-24(22)33)27-25(32)31-18-16-30(17-19-31)20-11-13-21(35-3)14-12-20/h11-14H,4-10,15-19H2,1-3H3,(H,28,33,34)