2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-isopropylpyrazol-3-yl)propanamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2-isopropylpyrazol-3-yl)propionamide Formula: C13H19N7OS MolecularWeight: 321.40126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C(C)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C13H19N7OS/c1-7(2)20-11(4-5-16-20)19-12(21)8(3)22-13-17-9(14)6-10(15)18-13/h4-8H,1-3H3,(H,19,21)(H4,14,15,17,18)