2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)propanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methylpropylcarbamoyl)propanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(isobutylcarbamoyl)propanamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[(2-methylpropylamino)-oxomethyl]propanamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)propanamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(isobutylcarbamoyl)propionamide Formula: C12H20N6O2S MolecularWeight: 312.3912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)C(C)SC1=NC(=CC(=N1)N)N

Isomeric SMILES

CC(C)CNC(=O)NC(=O)C(C)SC1=NC(=CC(=N1)N)N

InChI

InChI=1S/C12H20N6O2S/c1-6(2)5-15-11(20)18-10(19)7(3)21-12-16-8(13)4-9(14)17-12/h4,6-7H,5H2,1-3H3,(H4,13,14,16,17)(H2,15,18,19,20)