4-methyl-6-(morpholin-4-ylmethylsulfanyl)-2-phenyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-methyl-6-(morpholin-4-ylmethylsulfanyl)-2-phenyl-pyrimidine-5-carbonitrile Openeye Name: 4-methyl-6-(morpholinomethylsulfanyl)-2-phenyl-pyrimidine-5-carbonitrile CAS Name: 4-methyl-6-(4-morpholinylmethylthio)-2-phenyl-5-pyrimidinecarbonitrile IUPAC Name: 4-methyl-6-(morpholin-4-ylmethylsulfanyl)-2-phenylpyrimidine-5-carbonitrile Traditional Name: 4-methyl-6-(morpholinomethylthio)-2-phenyl-pyrimidine-5-carbonitrile Formula: C17H18N4OS MolecularWeight: 326.41602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCN3CCOCC3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCN3CCOCC3)C#N

InChI

InChI=1S/C17H18N4OS/c1-13-15(11-18)17(23-12-21-7-9-22-10-8-21)20-16(19-13)14-5-3-2-4-6-14/h2-6H,7-10,12H2,1H3