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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(1-ethylsulfonylindolin-5-yl)ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-(1-esylindolin-5-yl)ethanone Formula: C16H19N5O3S2 MolecularWeight: 393.48376

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C16H19N5O3S2/c1-2-26(23,24)21-6-5-10-7-11(3-4-12(10)21)13(22)9-25-16-19-14(17)8-15(18)20-16/h3-4,7-8H,2,5-6,9H2,1H3,(H4,17,18,19,20)