2-[7-(2-chlorophenyl)-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanamide

Systemtic Name: 2-[7-(2-chlorophenyl)-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanamide Openeye Name: 2-[7-(2-chlorophenyl)-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]acetamide CAS Name: 2-[7-(2-chlorophenyl)-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]acetamide IUPAC Name: 2-[7-(2-chlorophenyl)-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]acetamide Traditional Name: 2-[7-(2-chlorophenyl)-2,6-diketo-3-methyl-8-piperazino-purin-1-yl]acetamide Formula: C18H20ClN7O3 MolecularWeight: 417.8495

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)N)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)N)N(C(=N2)N3CCNCC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C18H20ClN7O3/c1-23-15-14(16(28)25(18(23)29)10-13(20)27)26(12-5-3-2-4-11(12)19)17(22-15)24-8-6-21-7-9-24/h2-5,21H,6-10H2,1H3,(H2,20,27)