1,3-bis(cyclopropylmethyl)-7-(4-methoxyphenyl)sulfonyl-purine-2,6-dione

Systemtic Name: 1,3-bis(cyclopropylmethyl)-7-(4-methoxyphenyl)sulfonyl-purine-2,6-dione Openeye Name: 1,3-bis(cyclopropylmethyl)-7-(4-methoxyphenyl)sulfonyl-purine-2,6-dione CAS Name: 1,3-bis(cyclopropylmethyl)-7-(4-methoxyphenyl)sulfonylpurine-2,6-dione IUPAC Name: 1,3-bis(cyclopropylmethyl)-7-(4-methoxyphenyl)sulfonylpurine-2,6-dione Traditional Name: 1,3-bis(cyclopropylmethyl)-7-(4-methoxyphenyl)sulfonyl-xanthine Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=C2C(=O)N(C(=O)N3CC4CC4)CC5CC5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C=NC3=C2C(=O)N(C(=O)N3CC4CC4)CC5CC5

InChI

InChI=1S/C20H22N4O5S/c1-29-15-6-8-16(9-7-15)30(27,28)24-12-21-18-17(24)19(25)23(11-14-4-5-14)20(26)22(18)10-13-2-3-13/h6-9,12-14H,2-5,10-11H2,1H3