8-azanyl-1,3-bis(cyclopropylmethyl)-7-(2,5-dimethoxyphenyl)sulfonyl-purine-2,6-dione

Systemtic Name: 8-azanyl-1,3-bis(cyclopropylmethyl)-7-(2,5-dimethoxyphenyl)sulfonyl-purine-2,6-dione Openeye Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-(2,5-dimethoxyphenyl)sulfonyl-purine-2,6-dione CAS Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-(2,5-dimethoxyphenyl)sulfonylpurine-2,6-dione IUPAC Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-(2,5-dimethoxyphenyl)sulfonylpurine-2,6-dione Traditional Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-(2,5-dimethoxyphenyl)sulfonyl-xanthine Formula: C21H25N5O6S MolecularWeight: 475.5181

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2C3=C(N=C2N)N(C(=O)N(C3=O)CC4CC4)CC5CC5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2C3=C(N=C2N)N(C(=O)N(C3=O)CC4CC4)CC5CC5

InChI

InChI=1S/C21H25N5O6S/c1-31-14-7-8-15(32-2)16(9-14)33(29,30)26-17-18(23-20(26)22)24(10-12-3-4-12)21(28)25(19(17)27)11-13-5-6-13/h7-9,12-13H,3-6,10-11H2,1-2H3,(H2,22,23)