4-[[6-(cyclohexylmethyl)-4-oxidanylidene-5-propan-2-yl-1H-pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[6-(cyclohexylmethyl)-4-oxidanylidene-5-propan-2-yl-1H-pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[6-(cyclohexylmethyl)-5-isopropyl-4-oxo-1H-pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[6-(cyclohexylmethyl)-4-oxo-5-propan-2-yl-1H-pyrimidin-2-yl]amino]benzonitrile IUPAC Name: 4-[[6-(cyclohexylmethyl)-4-oxo-5-propan-2-yl-1H-pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[6-(cyclohexylmethyl)-5-isopropyl-4-keto-1H-pyrimidin-2-yl]amino]benzonitrile Formula: C21H26N4O MolecularWeight: 350.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(NC(=NC1=O)NC2=CC=C(C=C2)C#N)CC3CCCCC3

Isomeric SMILES

CC(C)C1=C(NC(=NC1=O)NC2=CC=C(C=C2)C#N)CC3CCCCC3

InChI

InChI=1S/C21H26N4O/c1-14(2)19-18(12-15-6-4-3-5-7-15)24-21(25-20(19)26)23-17-10-8-16(13-22)9-11-17/h8-11,14-15H,3-7,12H2,1-2H3,(H2,23,24,25,26)