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

Systemtic Name: 4-[7-(2-methoxyphenyl)-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-purin-8-yl]piperazine-1-carboxylic acid CAS Name: 4-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxopurin-8-yl]piperazine-1-carboxylic acid Traditional Name: 4-[2,6-diketo-7-(2-methoxyphenyl)-3-methyl-purin-8-yl]piperazine-1-carboxylic acid Formula: C18H20N6O5 MolecularWeight: 400.3886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)O)C4=CC=CC=C4OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)O)C4=CC=CC=C4OC

InChI

InChI=1S/C18H20N6O5/c1-21-14-13(15(25)20-17(21)26)24(11-5-3-4-6-12(11)29-2)16(19-14)22-7-9-23(10-8-22)18(27)28/h3-6H,7-10H2,1-2H3,(H,27,28)(H,20,25,26)