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

Systemtic Name: 3-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]propanoic acid Openeye Name: 3-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]propanoic acid CAS Name: 3-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]propanoic acid IUPAC Name: 3-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]propanoic acid Traditional Name: 3-[2,6-diketo-3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-purin-1-yl]propionic acid Formula: C18H26N6O4 MolecularWeight: 390.43684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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