2-[3-[(3,5-dimethylphenyl)methyl]-2,4-bis(oxidanylidene)-6-piperazin-1-yl-pyrimidin-1-yl]ethanenitrile

Systemtic Name: 2-[3-[(3,5-dimethylphenyl)methyl]-2,4-bis(oxidanylidene)-6-piperazin-1-yl-pyrimidin-1-yl]ethanenitrile Openeye Name: 2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxo-6-piperazin-1-yl-pyrimidin-1-yl]acetonitrile CAS Name: 2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxo-6-(1-piperazinyl)-1-pyrimidinyl]acetonitrile IUPAC Name: 2-[3-[(3,5-dimethylphenyl)methyl]-2,4-dioxo-6-piperazin-1-ylpyrimidin-1-yl]acetonitrile Traditional Name: 2-[3-(3,5-dimethylbenzyl)-2,4-diketo-6-piperazino-pyrimidin-1-yl]acetonitrile Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN2C(=O)C=C(N(C2=O)CC#N)N3CCNCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN2C(=O)C=C(N(C2=O)CC#N)N3CCNCC3)C

InChI

InChI=1S/C19H23N5O2/c1-14-9-15(2)11-16(10-14)13-24-18(25)12-17(22-7-4-21-5-8-22)23(6-3-20)19(24)26/h9-12,21H,4-8,13H2,1-2H3