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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[(4,6-diaminopyrimidin-2-yl)thio]ethanone Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C15H19N5OS/c1-8-5-11(9(2)20(8)10-3-4-10)12(21)7-22-15-18-13(16)6-14(17)19-15/h5-6,10H,3-4,7H2,1-2H3,(H4,16,17,18,19)