4-[(4-azanylpyrimidin-2-yl)amino]-2-(3-methylbut-2-enoxy)benzenecarbonitrile

Systemtic Name: 4-[(4-azanylpyrimidin-2-yl)amino]-2-(3-methylbut-2-enoxy)benzenecarbonitrile Openeye Name: 4-[(4-aminopyrimidin-2-yl)amino]-2-(3-methylbut-2-enoxy)benzonitrile CAS Name: 4-[(4-amino-2-pyrimidinyl)amino]-2-(3-methylbut-2-enoxy)benzonitrile IUPAC Name: 4-[(4-aminopyrimidin-2-yl)amino]-2-(3-methylbut-2-enoxy)benzonitrile Traditional Name: 4-[(4-aminopyrimidin-2-yl)amino]-2-(3-methylbut-2-enoxy)benzonitrile Formula: C16H17N5O MolecularWeight: 295.33908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=C(C=CC(=C1)NC2=NC=CC(=N2)N)C#N)C

Isomeric SMILES

CC(=CCOC1=C(C=CC(=C1)NC2=NC=CC(=N2)N)C#N)C

InChI

InChI=1S/C16H17N5O/c1-11(2)6-8-22-14-9-13(4-3-12(14)10-17)20-16-19-7-5-15(18)21-16/h3-7,9H,8H2,1-2H3,(H3,18,19,20,21)