3-methyl-7-(3-methylbut-2-enyl)-1-(3-phenylmethoxypropyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(3-phenylmethoxypropyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-(3-benzyloxypropyl)-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(3-phenylmethoxypropyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(3-phenylmethoxypropyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-(3-benzoxypropyl)-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-xanthine Formula: C25H34N6O3 MolecularWeight: 466.57586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCCOCC4=CC=CC=C4)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCCOCC4=CC=CC=C4)C)C

InChI

InChI=1S/C25H34N6O3/c1-19(2)10-14-30-21-22(27-24(30)29-15-11-26-12-16-29)28(3)25(33)31(23(21)32)13-7-17-34-18-20-8-5-4-6-9-20/h4-6,8-10,26H,7,11-18H2,1-3H3