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

Systemtic Name: 7-hexadecyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-hexadecyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-hexadecyl-8-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-hexadecyl-8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-cetyl-8-[[4-(4-methoxyphenyl)piperazino]methyl]-1,3-dimethyl-xanthine Formula: C35H56N6O3 MolecularWeight: 608.85754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C35H56N6O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-41-31(36-33-32(41)34(42)38(3)35(43)37(33)2)28-39-24-26-40(27-25-39)29-19-21-30(44-4)22-20-29/h19-22H,5-18,23-28H2,1-4H3