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

Systemtic Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]propanoic acid Openeye Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]propanoic acid CAS Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]propanoic acid IUPAC Name: 2-[3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]propanoic acid Traditional Name: 2-[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(C(=O)O)N1C(=O)C2=C(N=C(N2CC=C(C)C)N3CCNCC3)N(C1=O)C

Isomeric SMILES

CC(C(=O)O)N1C(=O)C2=C(N=C(N2CC=C(C)C)N3CCNCC3)N(C1=O)C

InChI

InChI=1S/C18H26N6O4/c1-11(2)5-8-23-13-14(20-17(23)22-9-6-19-7-10-22)21(4)18(28)24(15(13)25)12(3)16(26)27/h5,12,19H,6-10H2,1-4H3,(H,26,27)