4-[[2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]ethylamino]methyl]-3-(phenylcarbonyl)benzenecarbonitrile

Systemtic Name: 4-[[2-[[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]amino]ethylamino]methyl]-3-(phenylcarbonyl)benzenecarbonitrile Openeye Name: 3-benzoyl-4-[[2-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)amino]ethylamino]methyl]benzonitrile CAS Name: 3-benzoyl-4-[[2-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)amino]ethylamino]methyl]benzonitrile IUPAC Name: 3-benzoyl-4-[[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]ethylamino]methyl]benzonitrile Traditional Name: 3-benzoyl-4-[[2-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)amino]ethylamino]methyl]benzonitrile Formula: C23H23N5O3 MolecularWeight: 417.46042

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)NCCNCC2=C(C=C(C=C2)C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)NCCNCC2=C(C=C(C=C2)C#N)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H23N5O3/c1-27-20(13-21(29)28(2)23(27)31)26-11-10-25-15-18-9-8-16(14-24)12-19(18)22(30)17-6-4-3-5-7-17/h3-9,12-13,25-26H,10-11,15H2,1-2H3