4-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[3-methyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-(7-allyl-3-methyl-2,6-dioxo-purin-8-yl)piperazine-1-carboxylic acid CAS Name: 4-(3-methyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(3-methyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)piperazine-1-carboxylic acid Traditional Name: 4-(7-allyl-2,6-diketo-3-methyl-purin-8-yl)piperazine-1-carboxylic acid Formula: C14H18N6O4 MolecularWeight: 334.33052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)O)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)O)CC=C

InChI

InChI=1S/C14H18N6O4/c1-3-4-20-9-10(17(2)13(22)16-11(9)21)15-12(20)18-5-7-19(8-6-18)14(23)24/h3H,1,4-8H2,2H3,(H,23,24)(H,16,21,22)