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

Systemtic Name: 2-[7-(2-chlorophenyl)-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanenitrile Openeye Name: 2-[7-(2-chlorophenyl)-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]acetonitrile CAS Name: 2-[7-(2-chlorophenyl)-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]acetonitrile IUPAC Name: 2-[7-(2-chlorophenyl)-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]acetonitrile Traditional Name: 2-[7-(2-chlorophenyl)-2,6-diketo-3-methyl-8-piperazino-purin-1-yl]acetonitrile Formula: C18H18ClN7O2 MolecularWeight: 399.83422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN7O2/c1-23-15-14(16(27)25(9-6-20)18(23)28)26(13-5-3-2-4-12(13)19)17(22-15)24-10-7-21-8-11-24/h2-5,21H,7-11H2,1H3