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

Systemtic Name: 3-[(E)-2-[4-(2-azanylethylamino)-6-methyl-pyrimidin-2-yl]ethenyl]benzenecarbonitrile Openeye Name: 3-[(E)-2-[4-(2-aminoethylamino)-6-methyl-pyrimidin-2-yl]vinyl]benzonitrile CAS Name: 3-[(E)-2-[4-(2-aminoethylamino)-6-methyl-2-pyrimidinyl]ethenyl]benzonitrile IUPAC Name: 3-[(E)-2-[4-(2-aminoethylamino)-6-methylpyrimidin-2-yl]ethenyl]benzonitrile Traditional Name: 3-[(E)-2-[4-(2-aminoethylamino)-6-methyl-pyrimidin-2-yl]vinyl]benzonitrile Formula: C16H17N5 MolecularWeight: 279.33968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C=CC2=CC=CC(=C2)C#N)NCCN

Isomeric SMILES

CC1=CC(=NC(=N1)/C=C/C2=CC=CC(=C2)C#N)NCCN

InChI

InChI=1S/C16H17N5/c1-12-9-16(19-8-7-17)21-15(20-12)6-5-13-3-2-4-14(10-13)11-18/h2-6,9-10H,7-8,17H2,1H3,(H,19,20,21)/b6-5+