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

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(3-phenoxypropyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(3-phenoxypropyl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(3-phenoxypropyl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(3-phenoxypropyl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(3-phenoxypropyl)-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)CCCOC4=CC=CC=C4)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)CCCOC4=CC=CC=C4)C)C

InChI

InChI=1S/C24H32N6O3/c1-18(2)10-14-29-20-21(26-23(29)28-15-11-25-12-16-28)27(3)24(32)30(22(20)31)13-7-17-33-19-8-5-4-6-9-19/h4-6,8-10,25H,7,11-17H2,1-3H3