3-[(E)-2-[4-methyl-6-(3-oxidanylpyrrolidin-1-yl)pyrimidin-2-yl]ethenyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-2-[4-methyl-6-(3-oxidanylpyrrolidin-1-yl)pyrimidin-2-yl]ethenyl]benzenecarbonitrile Openeye Name: 3-[(E)-2-[4-(3-hydroxypyrrolidin-1-yl)-6-methyl-pyrimidin-2-yl]vinyl]benzonitrile CAS Name: 3-[(E)-2-[4-(3-hydroxy-1-pyrrolidinyl)-6-methyl-2-pyrimidinyl]ethenyl]benzonitrile IUPAC Name: 3-[(E)-2-[4-(3-hydroxypyrrolidin-1-yl)-6-methylpyrimidin-2-yl]ethenyl]benzonitrile Traditional Name: 3-[(E)-2-[4-(3-hydroxypyrrolidino)-6-methyl-pyrimidin-2-yl]vinyl]benzonitrile Formula: C18H18N4O MolecularWeight: 306.36172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C=CC2=CC=CC(=C2)C#N)N3CCC(C3)O

Isomeric SMILES

CC1=CC(=NC(=N1)/C=C/C2=CC=CC(=C2)C#N)N3CCC(C3)O

InChI

InChI=1S/C18H18N4O/c1-13-9-18(22-8-7-16(23)12-22)21-17(20-13)6-5-14-3-2-4-15(10-14)11-19/h2-6,9-10,16,23H,7-8,12H2,1H3/b6-5+