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

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(3-oxidanylidene-1,2-dihydroinden-2-yl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(1-oxoindan-2-yl)-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(3-oxo-1,2-dihydroinden-2-yl)-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-1-(3-oxo-1,2-dihydroinden-2-yl)-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-(1-ketoindan-2-yl)-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-xanthine Formula: C24H28N6O3 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C4CC5=CC=CC=C5C4=O)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C4CC5=CC=CC=C5C4=O)C)C

InChI

InChI=1S/C24H28N6O3/c1-15(2)8-11-29-19-21(26-23(29)28-12-9-25-10-13-28)27(3)24(33)30(22(19)32)18-14-16-6-4-5-7-17(16)20(18)31/h4-8,18,25H,9-14H2,1-3H3