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

Systemtic Name: 3-[7-(3-methylbut-2-enyl)-6-oxidanylidene-8-piperazin-1-yl-2,3-dihydropurin-1-yl]-2-oxidanylidene-butanoic acid Openeye Name: 3-[7-(3-methylbut-2-enyl)-6-oxo-8-piperazin-1-yl-2,3-dihydropurin-1-yl]-2-oxo-butanoic acid CAS Name: 3-[7-(3-methylbut-2-enyl)-6-oxo-8-(1-piperazinyl)-2,3-dihydropurin-1-yl]-2-oxobutanoic acid IUPAC Name: 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]butyric acid Formula: C18H26N6O4 MolecularWeight: 390.43684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=O)O)N1CNC2=C(C1=O)N(C(=N2)N3CCNCC3)CC=C(C)C

Isomeric SMILES

CC(C(=O)C(=O)O)N1CNC2=C(C1=O)N(C(=N2)N3CCNCC3)CC=C(C)C

InChI

InChI=1S/C18H26N6O4/c1-11(2)4-7-23-13-15(21-18(23)22-8-5-19-6-9-22)20-10-24(16(13)26)12(3)14(25)17(27)28/h4,12,19-20H,5-10H2,1-3H3,(H,27,28)