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

Systemtic Name: 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[4-[4-(2-methoxyphenyl)piperazino]butyl]-3,7-dimethyl-xanthine Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCN3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCN3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C22H30N6O3/c1-24-16-23-20-19(24)21(29)28(22(30)25(20)2)11-7-6-10-26-12-14-27(15-13-26)17-8-4-5-9-18(17)31-3/h4-5,8-9,16H,6-7,10-15H2,1-3H3