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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-prop-2-enyl-purin-8-yl]-3-(hydroxymethyl)piperazine-1-carboxylic acid Openeye Name: 4-(7-allyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)-3-(hydroxymethyl)piperazine-1-carboxylic acid CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-prop-2-enyl-8-purinyl)-3-(hydroxymethyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(1,3-dimethyl-2,6-dioxo-7-prop-2-enylpurin-8-yl)-3-(hydroxymethyl)piperazine-1-carboxylic acid Traditional Name: 4-(7-allyl-2,6-diketo-1,3-dimethyl-purin-8-yl)-3-methylol-piperazine-1-carboxylic acid Formula: C16H22N6O5 MolecularWeight: 378.38308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3CO)C(=O)O)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3CO)C(=O)O)CC=C

InChI

InChI=1S/C16H22N6O5/c1-4-5-22-11-12(18(2)15(25)19(3)13(11)24)17-14(22)21-7-6-20(16(26)27)8-10(21)9-23/h4,10,23H,1,5-9H2,2-3H3,(H,26,27)