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

Systemtic Name: 8-azanyl-1,3-bis(cyclopropylmethyl)-7-(4-methoxyphenyl)sulfonyl-purine-2,6-dione Openeye Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-(4-methoxyphenyl)sulfonyl-purine-2,6-dione CAS Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-(4-methoxyphenyl)sulfonylpurine-2,6-dione IUPAC Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-(4-methoxyphenyl)sulfonylpurine-2,6-dione Traditional Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-(4-methoxyphenyl)sulfonyl-xanthine Formula: C20H23N5O5S MolecularWeight: 445.49212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O5S/c1-30-14-6-8-15(9-7-14)31(28,29)25-16-17(22-19(25)21)23(10-12-2-3-12)20(27)24(18(16)26)11-13-4-5-13/h6-9,12-13H,2-5,10-11H2,1H3,(H2,21,22)