2-butan-2-ylsulfanyl-6-(1H-indol-3-ylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-butan-2-ylsulfanyl-6-(1H-indol-3-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-(1H-indol-3-ylmethyl)-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-6-(1H-indol-3-ylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-butan-2-ylsulfanyl-6-(1H-indol-3-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 6-(1H-indol-3-ylmethyl)-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C17H19N3OS MolecularWeight: 313.41726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C=C(N1)CC2=CNC3=CC=CC=C32

Isomeric SMILES

CCC(C)SC1=NC(=O)C=C(N1)CC2=CNC3=CC=CC=C32

InChI

InChI=1S/C17H19N3OS/c1-3-11(2)22-17-19-13(9-16(21)20-17)8-12-10-18-15-7-5-4-6-14(12)15/h4-7,9-11,18H,3,8H2,1-2H3,(H,19,20,21)