2-[(4-aminophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-aminophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-aminophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(4-aminophenyl)methylthio]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-aminophenyl)methylsulfanyl]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-aminobenzyl)thio]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one Formula: C14H17N3O2S MolecularWeight: 291.36868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)N)CCO

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=C(C=C2)N)CCO

InChI

InChI=1S/C14H17N3O2S/c1-9-12(6-7-18)13(19)17-14(16-9)20-8-10-2-4-11(15)5-3-10/h2-5,18H,6-8,15H2,1H3,(H,16,17,19)