4-[(4-azanyl-2-prop-2-enylsulfanyl-pyrimidin-5-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-azanyl-2-prop-2-enylsulfanyl-pyrimidin-5-yl)methyl]benzenecarbonitrile Openeye Name: 4-[(2-allylsulfanyl-4-amino-pyrimidin-5-yl)methyl]benzonitrile CAS Name: 4-[[4-amino-2-(prop-2-enylthio)-5-pyrimidinyl]methyl]benzonitrile IUPAC Name: 4-[(4-amino-2-prop-2-enylsulfanylpyrimidin-5-yl)methyl]benzonitrile Traditional Name: 4-[[2-(allylthio)-4-amino-pyrimidin-5-yl]methyl]benzonitrile Formula: C15H14N4S MolecularWeight: 282.36346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC=C(C(=N1)N)CC2=CC=C(C=C2)C#N

Isomeric SMILES

C=CCSC1=NC=C(C(=N1)N)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H14N4S/c1-2-7-20-15-18-10-13(14(17)19-15)8-11-3-5-12(9-16)6-4-11/h2-6,10H,1,7-8H2,(H2,17,18,19)