4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]butanoic acid

Systemtic Name: 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]butanoic acid Openeye Name: 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]butanoic acid CAS Name: 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]butanoic acid IUPAC Name: 4-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]butanoic acid Traditional Name: 4-[2,6-diketo-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-purin-1-yl]butyric acid Formula: C19H28N6O4 MolecularWeight: 404.46342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N6O4/c1-13(2)6-10-24-15-16(21-18(24)23-11-7-20-8-12-23)22(3)19(29)25(17(15)28)9-4-5-14(26)27/h6,20H,4-5,7-12H2,1-3H3,(H,26,27)