7-butan-2-yl-1-[(2-cyanophenyl)methyl]-6-oxidanylidene-8-piperazin-1-yl-purine-2-carbonitrile

Systemtic Name: 7-butan-2-yl-1-[(2-cyanophenyl)methyl]-6-oxidanylidene-8-piperazin-1-yl-purine-2-carbonitrile Openeye Name: 1-[(2-cyanophenyl)methyl]-6-oxo-8-piperazin-1-yl-7-sec-butyl-purine-2-carbonitrile CAS Name: 7-butan-2-yl-1-[(2-cyanophenyl)methyl]-6-oxo-8-(1-piperazinyl)-2-purinecarbonitrile IUPAC Name: 7-butan-2-yl-1-[(2-cyanophenyl)methyl]-6-oxo-8-piperazin-1-ylpurine-2-carbonitrile Traditional Name: 1-(2-cyanobenzyl)-6-keto-8-piperazino-7-sec-butyl-purine-2-carbonitrile Formula: C22H24N8O MolecularWeight: 416.47896

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C(N(C2=O)CC3=CC=CC=C3C#N)C#N)N=C1N4CCNCC4

Isomeric SMILES

CCC(C)N1C2=C(N=C(N(C2=O)CC3=CC=CC=C3C#N)C#N)N=C1N4CCNCC4

InChI

InChI=1S/C22H24N8O/c1-3-15(2)30-19-20(27-22(30)28-10-8-25-9-11-28)26-18(13-24)29(21(19)31)14-17-7-5-4-6-16(17)12-23/h4-7,15,25H,3,8-11,14H2,1-2H3