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

Systemtic Name: 3-ethyl-7-methoxy-5-(5-methylsulfonyl-2-propoxy-phenyl)-2H-pyrazolo[4,3-d]pyrimidine Openeye Name: 3-ethyl-7-methoxy-5-(5-methylsulfonyl-2-propoxy-phenyl)-2H-pyrazolo[4,3-d]pyrimidine CAS Name: 3-ethyl-7-methoxy-5-(5-methylsulfonyl-2-propoxyphenyl)-2H-pyrazolo[4,3-d]pyrimidine IUPAC Name: 3-ethyl-7-methoxy-5-(5-methylsulfonyl-2-propoxyphenyl)-2H-pyrazolo[4,3-d]pyrimidine Traditional Name: 3-ethyl-5-(5-mesyl-2-propoxy-phenyl)-7-methoxy-2H-pyrazolo[4,3-d]pyrimidine Formula: C18H22N4O4S MolecularWeight: 390.45668

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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)OC)CC

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4S/c1-5-9-26-14-8-7-11(27(4,23)24)10-12(14)17-19-15-13(6-2)21-22-16(15)18(20-17)25-3/h7-8,10H,5-6,9H2,1-4H3,(H,21,22)