1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-[(E)-3-pyrimidin-5-ylprop-2-enyl]guanidine

Systemtic Name: 1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-[(E)-3-pyrimidin-5-ylprop-2-enyl]guanidine Openeye Name: 1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-[(E)-3-pyrimidin-5-ylallyl]guanidine CAS Name: 1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-1-[(E)-3-(5-pyrimidinyl)prop-2-enyl]guanidine IUPAC Name: 1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1-[(E)-3-pyrimidin-5-ylprop-2-enyl]guanidine Traditional Name: 1-cyano-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]-1-[(E)-3-(5-pyrimidyl)allyl]guanidine Formula: C16H20N8S MolecularWeight: 356.4486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCN=C(N)N(CC=CC2=CN=CN=C2)C#N

Isomeric SMILES

CC1=C(N=CN1)CSCCN=C(N)N(C/C=C/C2=CN=CN=C2)C#N

InChI

InChI=1S/C16H20N8S/c1-13-15(23-12-22-13)9-25-6-4-21-16(18)24(10-17)5-2-3-14-7-19-11-20-8-14/h2-3,7-8,11-12H,4-6,9H2,1H3,(H2,18,21)(H,22,23)/b3-2+