2-[4-(2,4-dinitrophenyl)sulfanyl-7-methyl-pyrrolo[2,3-d]pyrimidin-5-yl]ethanol

Systemtic Name: 2-[4-(2,4-dinitrophenyl)sulfanyl-7-methyl-pyrrolo[2,3-d]pyrimidin-5-yl]ethanol Openeye Name: 2-[4-(2,4-dinitrophenyl)sulfanyl-7-methyl-pyrrolo[2,3-d]pyrimidin-5-yl]ethanol CAS Name: 2-[4-[(2,4-dinitrophenyl)thio]-7-methyl-5-pyrrolo[2,3-d]pyrimidinyl]ethanol IUPAC Name: 2-[4-(2,4-dinitrophenyl)sulfanyl-7-methylpyrrolo[2,3-d]pyrimidin-5-yl]ethanol Traditional Name: 2-[4-[(2,4-dinitrophenyl)thio]-7-methyl-pyrrolo[2,3-d]pyrimidin-5-yl]ethanol Formula: C15H13N5O5S MolecularWeight: 375.35922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1N=CN=C2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CCO

Isomeric SMILES

CN1C=C(C2=C1N=CN=C2SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CCO

InChI

InChI=1S/C15H13N5O5S/c1-18-7-9(4-5-21)13-14(18)16-8-17-15(13)26-12-3-2-10(19(22)23)6-11(12)20(24)25/h2-3,6-8,21H,4-5H2,1H3