2-[7-(2-methoxyphenyl)-3-methyl-6-oxidanylidene-8-piperazin-1-yl-2H-purin-1-yl]-2-oxidanylidene-ethanenitrile

Systemtic Name: 2-[7-(2-methoxyphenyl)-3-methyl-6-oxidanylidene-8-piperazin-1-yl-2H-purin-1-yl]-2-oxidanylidene-ethanenitrile Openeye Name: 7-(2-methoxyphenyl)-3-methyl-6-oxo-8-piperazin-1-yl-2H-purine-1-carbonyl cyanide CAS Name: 2-[7-(2-methoxyphenyl)-3-methyl-6-oxo-8-(1-piperazinyl)-2H-purin-1-yl]-2-oxoacetonitrile IUPAC Name: 7-(2-methoxyphenyl)-3-methyl-6-oxo-8-piperazin-1-yl-2H-purine-1-carbonyl cyanide Traditional Name: 2-keto-2-[6-keto-7-(2-methoxyphenyl)-3-methyl-8-piperazino-2H-purin-1-yl]acetonitrile Formula: C19H21N7O3 MolecularWeight: 395.41514

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C(=O)C2=C1N=C(N2C3=CC=CC=C3OC)N4CCNCC4)C(=O)C#N

Isomeric SMILES

CN1CN(C(=O)C2=C1N=C(N2C3=CC=CC=C3OC)N4CCNCC4)C(=O)C#N

InChI

InChI=1S/C19H21N7O3/c1-23-12-25(15(27)11-20)18(28)16-17(23)22-19(24-9-7-21-8-10-24)26(16)13-5-3-4-6-14(13)29-2/h3-6,21H,7-10,12H2,1-2H3