3-methyl-3-[7-(3-methylbut-2-enyl)-6-oxidanylidene-8-piperazin-1-yl-2,3-dihydropurin-1-yl]-2-oxidanylidene-butanoic acid

Systemtic Name: 3-methyl-3-[7-(3-methylbut-2-enyl)-6-oxidanylidene-8-piperazin-1-yl-2,3-dihydropurin-1-yl]-2-oxidanylidene-butanoic acid Openeye Name: 3-methyl-3-[7-(3-methylbut-2-enyl)-6-oxo-8-piperazin-1-yl-2,3-dihydropurin-1-yl]-2-oxo-butanoic acid CAS Name: 3-methyl-3-[7-(3-methylbut-2-enyl)-6-oxo-8-(1-piperazinyl)-2,3-dihydropurin-1-yl]-2-oxobutanoic acid IUPAC Name: 3-methyl-3-[7-(3-methylbut-2-enyl)-6-oxo-8-piperazin-1-yl-2,3-dihydropurin-1-yl]-2-oxobutanoic acid Traditional Name: 2-keto-3-[6-keto-7-(3-methylbut-2-enyl)-8-piperazino-2,3-dihydropurin-1-yl]-3-methyl-butyric acid Formula: C19H28N6O4 MolecularWeight: 404.46342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(NCN(C2=O)C(C)(C)C(=O)C(=O)O)N=C1N3CCNCC3)C

Isomeric SMILES

CC(=CCN1C2=C(NCN(C2=O)C(C)(C)C(=O)C(=O)O)N=C1N3CCNCC3)C

InChI

InChI=1S/C19H28N6O4/c1-12(2)5-8-24-13-15(22-18(24)23-9-6-20-7-10-23)21-11-25(16(13)27)19(3,4)14(26)17(28)29/h5,20-21H,6-11H2,1-4H3,(H,28,29)