4-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(2-methoxy-5-nitrophenyl)methylthio]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[(2-methoxy-5-nitro-benzyl)thio]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C14H13N5O3S/c1-18-13-11(6-17-18)14(16-8-15-13)23-7-9-5-10(19(20)21)3-4-12(9)22-2/h3-6,8H,7H2,1-2H3