2-azanyl-4-phenyl-6-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-phenyl-6-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-benzylsulfanyl-6-phenyl-pyrimidine-5-carbonitrile CAS Name: 2-amino-4-phenyl-6-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-benzylsulfanyl-6-phenylpyrimidine-5-carbonitrile Traditional Name: 2-amino-4-(benzylthio)-6-phenyl-pyrimidine-5-carbonitrile Formula: C18H14N4S MolecularWeight: 318.39556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=NC(=C2C#N)C3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NC(=C2C#N)C3=CC=CC=C3)N

InChI

InChI=1S/C18H14N4S/c19-11-15-16(14-9-5-2-6-10-14)21-18(20)22-17(15)23-12-13-7-3-1-4-8-13/h1-10H,12H2,(H2,20,21,22)