7-chloranyl-3-ethyl-5-(5-methylsulfonyl-2-propoxy-phenyl)-2H-pyrazolo[4,3-d]pyrimidine

Systemtic Name: 7-chloranyl-3-ethyl-5-(5-methylsulfonyl-2-propoxy-phenyl)-2H-pyrazolo[4,3-d]pyrimidine Openeye Name: 7-chloro-3-ethyl-5-(5-methylsulfonyl-2-propoxy-phenyl)-2H-pyrazolo[4,3-d]pyrimidine CAS Name: 7-chloro-3-ethyl-5-(5-methylsulfonyl-2-propoxyphenyl)-2H-pyrazolo[4,3-d]pyrimidine IUPAC Name: 7-chloro-3-ethyl-5-(5-methylsulfonyl-2-propoxyphenyl)-2H-pyrazolo[4,3-d]pyrimidine Traditional Name: 7-chloro-3-ethyl-5-(5-mesyl-2-propoxy-phenyl)-2H-pyrazolo[4,3-d]pyrimidine Formula: C17H19ClN4O3S MolecularWeight: 394.87576

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC3=C(NN=C3C(=N2)Cl)CC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC3=C(NN=C3C(=N2)Cl)CC

InChI

InChI=1S/C17H19ClN4O3S/c1-4-8-25-13-7-6-10(26(3,23)24)9-11(13)17-19-14-12(5-2)21-22-15(14)16(18)20-17/h6-7,9H,4-5,8H2,1-3H3,(H,21,22)