4-[(4-ethylphenyl)sulfonylamino]-2,2-dimethyl-3-oxidanyl-N-(6-sulfanylidene-3,7-dihydropurin-2-yl)-3,4-dihydrochromene-6-carboxamide

Systemtic Name: 4-[(4-ethylphenyl)sulfonylamino]-2,2-dimethyl-3-oxidanyl-N-(6-sulfanylidene-3,7-dihydropurin-2-yl)-3,4-dihydrochromene-6-carboxamide Openeye Name: 4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(6-thioxo-3,7-dihydropurin-2-yl)chromane-6-carboxamide CAS Name: 4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(6-sulfanylidene-3,7-dihydropurin-2-yl)-3,4-dihydro-2H-1-benzopyran-6-carboxamide IUPAC Name: 4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(6-sulfanylidene-3,7-dihydropurin-2-yl)-3,4-dihydrochromene-6-carboxamide Traditional Name: 4-[(4-ethylphenyl)sulfonylamino]-3-hydroxy-2,2-dimethyl-N-(6-thioxo-3,7-dihydropurin-2-yl)chroman-6-carboxamide Formula: C25H26N6O5S2 MolecularWeight: 554.64114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2C(C(OC3=C2C=C(C=C3)C(=O)NC4=NC(=S)C5=C(N4)N=CN5)(C)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2C(C(OC3=C2C=C(C=C3)C(=O)NC4=NC(=S)C5=C(N4)N=CN5)(C)C)O

InChI

InChI=1S/C25H26N6O5S2/c1-4-13-5-8-15(9-6-13)38(34,35)31-18-16-11-14(7-10-17(16)36-25(2,3)20(18)32)22(33)29-24-28-21-19(23(37)30-24)26-12-27-21/h5-12,18,20,31-32H,4H2,1-3H3,(H3,26,27,28,29,30,33,37)