2-[3-methyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-8-piperazin-1-yl-2H-purin-1-yl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-8-piperazin-1-yl-2H-purin-1-yl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-6-oxo-8-piperazin-1-yl-2H-purin-1-yl]-2-oxo-acetic acid CAS Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-6-oxo-8-(1-piperazinyl)-2H-purin-1-yl]-2-oxoacetic acid IUPAC Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-6-oxo-8-piperazin-1-yl-2H-purin-1-yl]-2-oxoacetic acid Traditional Name: 2-keto-2-[6-keto-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-2H-purin-1-yl]acetic acid Formula: C17H24N6O4 MolecularWeight: 376.41026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N6O4/c1-11(2)4-7-22-12-13(19-17(22)21-8-5-18-6-9-21)20(3)10-23(14(12)24)15(25)16(26)27/h4,18H,5-10H2,1-3H3,(H,26,27)