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

Systemtic Name: 2-butan-2-ylsulfanyl-6-(indol-1-ylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-(indol-1-ylmethyl)-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-6-(1-indolylmethyl)-1H-pyrimidin-4-one IUPAC Name: 2-butan-2-ylsulfanyl-6-(indol-1-ylmethyl)-1H-pyrimidin-4-one Traditional Name: 6-(indol-1-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)CN2C=CC3=CC=CC=C32

Isomeric SMILES

CCC(C)SC1=NC(=O)C=C(N1)CN2C=CC3=CC=CC=C32

InChI

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