2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]-2-phenyl-ethanoic acid Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-8-piperazin-1-yl-purin-7-yl)-2-phenyl-acetic acid CAS Name: 2-[1,3-dimethyl-2,6-dioxo-8-(1-piperazinyl)-7-purinyl]-2-phenylacetic acid IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)-2-phenylacetic acid Traditional Name: 2-(2,6-diketo-1,3-dimethyl-8-piperazino-purin-7-yl)-2-phenyl-acetic acid Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)C(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C19H22N6O4/c1-22-15-14(16(26)23(2)19(22)29)25(18(21-15)24-10-8-20-9-11-24)13(17(27)28)12-6-4-3-5-7-12/h3-7,13,20H,8-11H2,1-2H3,(H,27,28)