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

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-7-prop-2-enyl-purin-1-yl]ethanoic acid Openeye Name: 2-(7-allyl-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)acetic acid CAS Name: 2-[3-methyl-2,6-dioxo-8-(1-piperazinyl)-7-prop-2-enyl-1-purinyl]acetic acid IUPAC Name: 2-(3-methyl-2,6-dioxo-8-piperazin-1-yl-7-prop-2-enylpurin-1-yl)acetic acid Traditional Name: 2-(7-allyl-2,6-diketo-3-methyl-8-piperazino-purin-1-yl)acetic acid Formula: C15H20N6O4 MolecularWeight: 348.3571

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)O)N(C(=N2)N3CCNCC3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)O)N(C(=N2)N3CCNCC3)CC=C

InChI

InChI=1S/C15H20N6O4/c1-3-6-20-11-12(17-14(20)19-7-4-16-5-8-19)18(2)15(25)21(13(11)24)9-10(22)23/h3,16H,1,4-9H2,2H3,(H,22,23)