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

Systemtic Name: 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-[2-(4-methoxyphenyl)ethyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-xanthine Formula: C24H32N6O3 MolecularWeight: 452.54928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=C(C=C4)OC)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCC4=CC=C(C=C4)OC)C)C

InChI

InChI=1S/C24H32N6O3/c1-17(2)9-13-29-20-21(26-23(29)28-15-11-25-12-16-28)27(3)24(32)30(22(20)31)14-10-18-5-7-19(33-4)8-6-18/h5-9,25H,10-16H2,1-4H3