2-[4-[(2-methyl-4-propyl-6-thiomorpholin-4-yl-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2-methyl-4-propyl-6-thiomorpholin-4-yl-pyrimidin-5-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-methyl-4-propyl-6-thiomorpholino-pyrimidin-5-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-methyl-4-propyl-6-thiomorpholin-4-yl-5-pyrimidinyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-methyl-4-propyl-6-thiomorpholin-4-ylpyrimidin-5-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-methyl-4-propyl-6-thiomorpholino-pyrimidin-5-yl)methyl]phenyl]benzonitrile Formula: C26H28N4S MolecularWeight: 428.59232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=N1)C)N2CCSCC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCC1=C(C(=NC(=N1)C)N2CCSCC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H28N4S/c1-3-6-25-24(26(29-19(2)28-25)30-13-15-31-16-14-30)17-20-9-11-21(12-10-20)23-8-5-4-7-22(23)18-27/h4-5,7-12H,3,6,13-17H2,1-2H3