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

Systemtic Name: 8-azanyl-7-(5-bromanyl-2-methoxy-phenyl)sulfonyl-1,3-bis(cyclopropylmethyl)purine-2,6-dione Openeye Name: 8-amino-7-(5-bromo-2-methoxy-phenyl)sulfonyl-1,3-bis(cyclopropylmethyl)purine-2,6-dione CAS Name: 8-amino-7-(5-bromo-2-methoxyphenyl)sulfonyl-1,3-bis(cyclopropylmethyl)purine-2,6-dione IUPAC Name: 8-amino-7-(5-bromo-2-methoxyphenyl)sulfonyl-1,3-bis(cyclopropylmethyl)purine-2,6-dione Traditional Name: 8-amino-7-(5-bromo-2-methoxy-phenyl)sulfonyl-1,3-bis(cyclopropylmethyl)xanthine Formula: C20H22BrN5O5S MolecularWeight: 524.38818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN5O5S/c1-31-14-7-6-13(21)8-15(14)32(29,30)26-16-17(23-19(26)22)24(9-11-2-3-11)20(28)25(18(16)27)10-12-4-5-12/h6-8,11-12H,2-5,9-10H2,1H3,(H2,22,23)