3-(3-tert-butyl-1-methyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N,N-bis(2-hydroxyethyl)benzenesulfonamide

Systemtic Name: 3-(3-tert-butyl-1-methyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N,N-bis(2-hydroxyethyl)benzenesulfonamide Openeye Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N,N-bis(2-hydroxyethyl)benzenesulfonamide CAS Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N,N-bis(2-hydroxyethyl)benzenesulfonamide IUPAC Name: 3-(3-tert-butyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N,N-bis(2-hydroxyethyl)benzenesulfonamide Traditional Name: 3-(3-tert-butyl-7-keto-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N,N-bis(2-hydroxyethyl)benzenesulfonamide Formula: C22H31N5O6S MolecularWeight: 493.57644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N(CCO)CCO)C2=NC(=O)C3=C(N2)C(=NN3C)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N(CCO)CCO)C2=NC(=O)C3=C(N2)C(=NN3C)C(C)(C)C

InChI

InChI=1S/C22H31N5O6S/c1-6-33-16-8-7-14(34(31,32)27(9-11-28)10-12-29)13-15(16)20-23-17-18(21(30)24-20)26(5)25-19(17)22(2,3)4/h7-8,13,28-29H,6,9-12H2,1-5H3,(H,23,24,30)