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

Systemtic Name: 2-[7-(2-methoxyphenyl)-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanenitrile Openeye Name: 2-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]acetonitrile CAS Name: 2-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]acetonitrile IUPAC Name: 2-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]acetonitrile Traditional Name: 2-[2,6-diketo-7-(2-methoxyphenyl)-3-methyl-8-piperazino-purin-1-yl]acetonitrile Formula: C19H21N7O3 MolecularWeight: 395.41514

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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=C4OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC#N)N(C(=N2)N3CCNCC3)C4=CC=CC=C4OC

InChI

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