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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]ethanamide Openeye Name: 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetamide CAS Name: 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenyl-1-piperazinyl)methyl]-7-purinyl]acetamide IUPAC Name: 2-[1,3-dimethyl-2,6-dioxo-8-[(4-phenylpiperazin-1-yl)methyl]purin-7-yl]acetamide Traditional Name: 2-[2,6-diketo-1,3-dimethyl-8-[(4-phenylpiperazino)methyl]purin-7-yl]acetamide Formula: C20H25N7O3 MolecularWeight: 411.4576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4)CC(=O)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4)CC(=O)N

InChI

InChI=1S/C20H25N7O3/c1-23-18-17(19(29)24(2)20(23)30)27(12-15(21)28)16(22-18)13-25-8-10-26(11-9-25)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H2,21,28)