5-(2-methylphenyl)-6-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(2-methylphenyl)-6-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-5-(o-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(2-methylphenyl)-6-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(2-methylphenyl)-6-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-5-(o-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H15N5O4S MolecularWeight: 421.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O4S/c1-12-5-2-3-8-16(12)24-19(27)15-10-21-23-18(15)22-20(24)30-11-17(26)13-6-4-7-14(9-13)25(28)29/h2-10H,11H2,1H3,(H,21,23)