2,7-bis(ethylsulfanyl)-8H-pyrimido[4,5-d]pyrimidin-5-one

Systemtic Name: 2,7-bis(ethylsulfanyl)-8H-pyrimido[4,5-d]pyrimidin-5-one Openeye Name: 2,7-bis(ethylsulfanyl)-8H-pyrimido[4,5-d]pyrimidin-5-one CAS Name: 2,7-bis(ethylthio)-8H-pyrimido[4,5-d]pyrimidin-5-one IUPAC Name: 2,7-bis(ethylsulfanyl)-8H-pyrimido[4,5-d]pyrimidin-5-one Traditional Name: 2,7-bis(ethylthio)-8H-pyrimido[4,5-d]pyrimidin-5-one Formula: C10H12N4OS2 MolecularWeight: 268.35848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(=O)C2=CN=C(N=C2N1)SCC

Isomeric SMILES

CCSC1=NC(=O)C2=CN=C(N=C2N1)SCC

InChI

InChI=1S/C10H12N4OS2/c1-3-16-9-11-5-6-7(12-9)13-10(17-4-2)14-8(6)15/h5H,3-4H2,1-2H3,(H,11,12,13,14,15)