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

Systemtic Name: 7-heptyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-heptyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methyl-purine-2,6-dione CAS Name: 7-heptyl-8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-3-methylpurine-2,6-dione IUPAC Name: 7-heptyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione Traditional Name: 7-heptyl-8-[[4-(4-methoxyphenyl)piperazino]methyl]-3-methyl-xanthine Formula: C25H36N6O3 MolecularWeight: 468.59174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCCCCN1C(=NC2=C1C(=O)NC(=O)N2C)CN3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H36N6O3/c1-4-5-6-7-8-13-31-21(26-23-22(31)24(32)27-25(33)28(23)2)18-29-14-16-30(17-15-29)19-9-11-20(34-3)12-10-19/h9-12H,4-8,13-18H2,1-3H3,(H,27,32,33)