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

Systemtic Name: 2-[7-but-2-ynyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanoic acid Openeye Name: 2-(7-but-2-ynyl-2,6-dioxo-8-piperazin-1-yl-purin-3-yl)acetic acid CAS Name: 2-[7-but-2-ynyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]acetic acid IUPAC Name: 2-(7-but-2-ynyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)acetic acid Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-8-piperazino-purin-3-yl)acetic acid Formula: C15H18N6O4 MolecularWeight: 346.34122

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)CC(=O)O

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)CC(=O)O

InChI

InChI=1S/C15H18N6O4/c1-2-3-6-20-11-12(17-14(20)19-7-4-16-5-8-19)21(9-10(22)23)15(25)18-13(11)24/h16H,4-9H2,1H3,(H,22,23)(H,18,24,25)