2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(4,6-diaminopyrimidin-2-yl)thio]ethanone Formula: C14H17N5O2S MolecularWeight: 319.38208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C14H17N5O2S/c1-6-12(8(3)20)7(2)17-13(6)9(21)5-22-14-18-10(15)4-11(16)19-14/h4,17H,5H2,1-3H3,(H4,15,16,18,19)