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

Systemtic Name: 4-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]butanoic acid Openeye Name: 4-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)butanoic acid CAS Name: 4-[7-but-2-ynyl-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]butanoic acid IUPAC Name: 4-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)butanoic acid Traditional Name: 4-(7-but-2-ynyl-2,6-diketo-3-methyl-8-piperazino-purin-1-yl)butyric acid Formula: C18H24N6O4 MolecularWeight: 388.42096

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O4/c1-3-4-9-23-14-15(20-17(23)22-11-7-19-8-12-22)21(2)18(28)24(16(14)27)10-5-6-13(25)26/h19H,5-12H2,1-2H3,(H,25,26)