3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(5-methylpyridin-2-yl)propanamide

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(5-methylpyridin-2-yl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methyl-2-pyridyl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-(5-methyl-2-pyridinyl)propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(5-methylpyridin-2-yl)propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-(5-methyl-2-pyridyl)propionamide Formula: C13H16N6OS MolecularWeight: 304.37074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)NC(=O)CCSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=CN=C(C=C1)NC(=O)CCSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C13H16N6OS/c1-8-2-3-11(16-7-8)19-12(20)4-5-21-13-17-9(14)6-10(15)18-13/h2-3,6-7H,4-5H2,1H3,(H,16,19,20)(H4,14,15,17,18)