2-[(2-aminophenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(2-aminophenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(2-aminophenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[(2-aminophenyl)methylthio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2-aminophenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[(2-aminobenzyl)thio]-6-propyl-1H-pyrimidin-4-one Formula: C14H17N3OS MolecularWeight: 275.36928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC2=CC=CC=C2N

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC2=CC=CC=C2N

InChI

InChI=1S/C14H17N3OS/c1-2-5-11-8-13(18)17-14(16-11)19-9-10-6-3-4-7-12(10)15/h3-4,6-8H,2,5,9,15H2,1H3,(H,16,17,18)