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

Systemtic Name: 7-dodecyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-dodecyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-dodecyl-8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-dodecyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-lauryl-8-[[4-(4-methoxyphenyl)piperazino]methyl]-1,3-dimethyl-xanthine Formula: C31H48N6O3 MolecularWeight: 552.75122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C31H48N6O3/c1-5-6-7-8-9-10-11-12-13-14-19-37-27(32-29-28(37)30(38)34(3)31(39)33(29)2)24-35-20-22-36(23-21-35)25-15-17-26(40-4)18-16-25/h15-18H,5-14,19-24H2,1-4H3