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

Systemtic Name: 4-[3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]piperazine-1-carboxylic acid Openeye Name: 4-(7-benzyl-3-methyl-2,6-dioxo-purin-8-yl)piperazine-1-carboxylic acid CAS Name: 4-[3-methyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-(7-benzyl-3-methyl-2,6-dioxopurin-8-yl)piperazine-1-carboxylic acid Traditional Name: 4-(7-benzyl-2,6-diketo-3-methyl-purin-8-yl)piperazine-1-carboxylic acid Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C18H20N6O4/c1-21-14-13(15(25)20-17(21)26)24(11-12-5-3-2-4-6-12)16(19-14)22-7-9-23(10-8-22)18(27)28/h2-6H,7-11H2,1H3,(H,27,28)(H,20,25,26)