6-(naphthalen-1-ylmethyl)-2-undecylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-(naphthalen-1-ylmethyl)-2-undecylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-(1-naphthylmethyl)-2-undecylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-(1-naphthalenylmethyl)-2-(undecylthio)-1H-pyrimidin-4-one IUPAC Name: 6-(naphthalen-1-ylmethyl)-2-undecylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-(1-naphthylmethyl)-2-(undecylthio)-1H-pyrimidin-4-one Formula: C26H34N2OS MolecularWeight: 422.62596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCSC1=NC(=O)C=C(N1)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCCCCCCCCCSC1=NC(=O)C=C(N1)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C26H34N2OS/c1-2-3-4-5-6-7-8-9-12-18-30-26-27-23(20-25(29)28-26)19-22-16-13-15-21-14-10-11-17-24(21)22/h10-11,13-17,20H,2-9,12,18-19H2,1H3,(H,27,28,29)