2-[3-methyl-2,6-bis(oxidanylidene)-8-(4-phenylpiperazin-1-yl)purin-7-yl]ethanoate

Systemtic Name: 2-[3-methyl-2,6-bis(oxidanylidene)-8-(4-phenylpiperazin-1-yl)purin-7-yl]ethanoate Openeye Name: 2-[3-methyl-2,6-dioxo-8-(4-phenylpiperazin-1-yl)purin-7-yl]acetate CAS Name: 2-[3-methyl-2,6-dioxo-8-(4-phenyl-1-piperazinyl)-7-purinyl]acetate IUPAC Name: 2-[3-methyl-2,6-dioxo-8-(4-phenylpiperazin-1-yl)purin-7-yl]acetate Traditional Name: 2-[2,6-diketo-3-methyl-8-(4-phenylpiperazino)purin-7-yl]acetate Formula: C18H19N6O4- MolecularWeight: 383.38126

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC(=O)[O-]

InChI

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