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

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

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

Canonical SMILES:

CCC(C(=O)O)N1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#CC


Isomeric SMILES

CCC(C(=O)O)N1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#CC


InChI

InChI=1S/C18H24N6O4/c1-4-6-9-23-13-14(20-17(23)22-10-7-19-8-11-22)24(12(5-2)16(26)27)18(28)21(3)15(13)25/h12,19H,5,7-11H2,1-3H3,(H,26,27)


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