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

Systemtic Name: 2-(3-methyl-6-oxidanylidene-8-piperazin-1-yl-7-prop-2-enyl-2H-purin-1-yl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(7-allyl-3-methyl-6-oxo-8-piperazin-1-yl-2H-purin-1-yl)-2-oxo-acetic acid CAS Name: 2-[3-methyl-6-oxo-8-(1-piperazinyl)-7-prop-2-enyl-2H-purin-1-yl]-2-oxoacetic acid IUPAC Name: 2-(3-methyl-6-oxo-8-piperazin-1-yl-7-prop-2-enyl-2H-purin-1-yl)-2-oxoacetic acid Traditional Name: 2-(7-allyl-6-keto-3-methyl-8-piperazino-2H-purin-1-yl)-2-keto-acetic acid Formula: C15H20N6O4 MolecularWeight: 348.3571

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C(=O)C2=C1N=C(N2CC=C)N3CCNCC3)C(=O)C(=O)O

Isomeric SMILES

CN1CN(C(=O)C2=C1N=C(N2CC=C)N3CCNCC3)C(=O)C(=O)O

InChI

InChI=1S/C15H20N6O4/c1-3-6-20-10-11(17-15(20)19-7-4-16-5-8-19)18(2)9-21(12(10)22)13(23)14(24)25/h3,16H,1,4-9H2,2H3,(H,24,25)