[5-butylsulfanyl-2-(4-methylsulfanylbutylsulfanyl)pyrimidin-4-yl] methyl hydrogen phosphate; trisulfanylmethane

Systemtic Name: [5-butylsulfanyl-2-(4-methylsulfanylbutylsulfanyl)pyrimidin-4-yl] methyl hydrogen phosphate; trisulfanylmethane Openeye Name: [5-butylsulfanyl-2-(4-methylsulfanylbutylsulfanyl)pyrimidin-4-yl] methyl hydrogen phosphate; trisulfanylmethane CAS Name: [5-(butylthio)-2-[4-(methylthio)butylthio]-4-pyrimidinyl] methyl hydrogen phosphate; trisulfanylmethane IUPAC Name: [5-butylsulfanyl-2-(4-methylsulfanylbutylsulfanyl)pyrimidin-4-yl] methyl hydrogen phosphate; trisulfanylmethane Traditional Name: [5-(butylthio)-2-[4-(methylthio)butylthio]pyrimidin-4-yl] methyl hydrogen phosphate; trisulfanylmethane Formula: C15H29N2O4PS6 MolecularWeight: 524.765521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CN=C(N=C1OP(=O)(O)OC)SCCCCSC.CSSS

Isomeric SMILES

CCCCSC1=CN=C(N=C1OP(=O)(O)OC)SCCCCSC.CSSS

InChI

InChI=1S/C14H25N2O4PS3.CH4S3/c1-4-5-9-23-12-11-15-14(24-10-7-6-8-22-3)16-13(12)20-21(17,18)19-2;1-3-4-2/h11H,4-10H2,1-3H3,(H,17,18);2H,1H3