2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-(4-phenylpiperazin-1-yl)purin-7-yl]ethanoic acid

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-(4-phenylpiperazin-1-yl)purin-7-yl]ethanoic acid Openeye Name: 2-[1,3-dimethyl-2,6-dioxo-8-(4-phenylpiperazin-1-yl)purin-7-yl]acetic acid CAS Name: 2-[1,3-dimethyl-2,6-dioxo-8-(4-phenyl-1-piperazinyl)-7-purinyl]acetic acid IUPAC Name: 2-[1,3-dimethyl-2,6-dioxo-8-(4-phenylpiperazin-1-yl)purin-7-yl]acetic acid Traditional Name: 2-[2,6-diketo-1,3-dimethyl-8-(4-phenylpiperazino)purin-7-yl]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)N3CCN(CC3)C4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC(=O)O

InChI

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