2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C12H16N4O2S MolecularWeight: 280.34604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)SC2=NC(=CC(=N2)N)N)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)SC2=NC(=CC(=N2)N)N)C

InChI

InChI=1S/C12H16N4O2S/c1-12(2)4-6(17)10(7(18)5-12)19-11-15-8(13)3-9(14)16-11/h3,10H,4-5H2,1-2H3,(H4,13,14,15,16)