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

Systemtic Name: 2-[7-(2-chlorophenyl)-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanenitrile Openeye Name: 2-[7-(2-chlorophenyl)-2,6-dioxo-8-piperazin-1-yl-purin-3-yl]acetonitrile CAS Name: 2-[7-(2-chlorophenyl)-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]acetonitrile IUPAC Name: 2-[7-(2-chlorophenyl)-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetonitrile Traditional Name: 2-[7-(2-chlorophenyl)-2,6-diketo-8-piperazino-purin-3-yl]acetonitrile Formula: C17H16ClN7O2 MolecularWeight: 385.80764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3CC#N

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(N2C4=CC=CC=C4Cl)C(=O)NC(=O)N3CC#N

InChI

InChI=1S/C17H16ClN7O2/c18-11-3-1-2-4-12(11)25-13-14(21-16(25)23-9-6-20-7-10-23)24(8-5-19)17(27)22-15(13)26/h1-4,20H,6-10H2,(H,22,26,27)