6-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-1,4-diazepane-5,7-dione

Systemtic Name: 6-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-1,4-diazepane-5,7-dione Openeye Name: 6-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-1,4-diazepane-5,7-dione CAS Name: 6-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-1,4-diazepane-5,7-dione IUPAC Name: 6-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-1,4-diazepane-5,7-dione Traditional Name: 6-[4-ethoxy-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-1,4-diazepane-5,7-quinone Formula: C22H26N6O6S MolecularWeight: 502.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)C4C(=O)NCCNC4=O)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)C4C(=O)NCCNC4=O)OCC)C

InChI

InChI=1S/C22H26N6O6S/c1-4-6-14-16-17(28(3)27-14)20(29)26-19(25-16)13-11-12(7-8-15(13)34-5-2)35(32,33)18-21(30)23-9-10-24-22(18)31/h7-8,11,18H,4-6,9-10H2,1-3H3,(H,23,30)(H,24,31)(H,25,26,29)