2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(4-amino-2-methyl-pyrimidin-5-yl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(4-amino-2-methyl-5-pyrimidinyl)methylthio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(4-amino-2-methyl-pyrimidin-5-yl)methylthio]-4-keto-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C17H14N6OS MolecularWeight: 350.39766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=NC=C(C(=N1)N)CSC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C17H14N6OS/c1-10-20-8-12(15(19)21-10)9-25-17-22-14(11-5-3-2-4-6-11)13(7-18)16(24)23-17/h2-6,8H,9H2,1H3,(H2,19,20,21)(H,22,23,24)