2,6-diethyl-5-[(3-nitrophenyl)methylsulfanyl]pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 2,6-diethyl-5-[(3-nitrophenyl)methylsulfanyl]pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 2,6-diethyl-5-[(3-nitrophenyl)methylsulfanyl]pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 2,6-diethyl-5-[(3-nitrophenyl)methylthio]-7-pyrazolo[4,3-d]pyrimidinone IUPAC Name: 2,6-diethyl-5-[(3-nitrophenyl)methylsulfanyl]pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 2,6-diethyl-5-[(3-nitrobenzyl)thio]pyrazolo[4,3-d]pyrimidin-7-one Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CC

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)[N+](=O)[O-])CC

InChI

InChI=1S/C16H17N5O3S/c1-3-19-9-13-14(18-19)15(22)20(4-2)16(17-13)25-10-11-6-5-7-12(8-11)21(23)24/h5-9H,3-4,10H2,1-2H3