N-[(E)-3-methylbutylideneamino]-2-(phenylmethylsulfanyl)pyrimidin-4-amine

Systemtic Name: N-[(E)-3-methylbutylideneamino]-2-(phenylmethylsulfanyl)pyrimidin-4-amine Openeye Name: 2-benzylsulfanyl-N-[(E)-3-methylbutylideneamino]pyrimidin-4-amine CAS Name: N-[(E)-3-methylbutylideneamino]-2-(phenylmethylthio)-4-pyrimidinamine IUPAC Name: 2-benzylsulfanyl-N-[(E)-3-methylbutylideneamino]pyrimidin-4-amine Traditional Name: [2-(benzylthio)pyrimidin-4-yl]-[(E)-3-methylbutylideneamino]amine Formula: C16H20N4S MolecularWeight: 300.4218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC=NNC1=NC(=NC=C1)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)C/C=N/NC1=NC(=NC=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C16H20N4S/c1-13(2)8-11-18-20-15-9-10-17-16(19-15)21-12-14-6-4-3-5-7-14/h3-7,9-11,13H,8,12H2,1-2H3,(H,17,19,20)/b18-11+