5-(3-chloranyl-4-methyl-phenyl)-6-[(3-nitrophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-6-[(3-nitrophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(3-chloro-4-methyl-phenyl)-6-[(3-nitrophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(3-chloro-4-methylphenyl)-6-[(3-nitrophenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(3-chloro-4-methylphenyl)-6-[(3-nitrophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(3-chloro-4-methyl-phenyl)-6-[(3-nitrobenzyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H14ClN5O3S MolecularWeight: 427.86416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H14ClN5O3S/c1-11-5-6-13(8-16(11)20)24-18(26)15-9-21-23-17(15)22-19(24)29-10-12-3-2-4-14(7-12)25(27)28/h2-9H,10H2,1H3,(H,21,23)