2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(1,2,5-trimethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone Formula: C13H17N5OS MolecularWeight: 291.37198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C13H17N5OS/c1-7-4-9(8(2)18(7)3)10(19)6-20-13-16-11(14)5-12(15)17-13/h4-5H,6H2,1-3H3,(H4,14,15,16,17)