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

Systemtic Name: 8-azanyl-1,3-bis(cyclopropylmethyl)-7-(4-nitrophenyl)sulfonyl-purine-2,6-dione Openeye Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-(4-nitrophenyl)sulfonyl-purine-2,6-dione CAS Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-(4-nitrophenyl)sulfonylpurine-2,6-dione IUPAC Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-(4-nitrophenyl)sulfonylpurine-2,6-dione Traditional Name: 8-amino-1,3-bis(cyclopropylmethyl)-7-nosyl-xanthine Formula: C19H20N6O6S MolecularWeight: 460.4637

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)N(C(=N3)N)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)N(C(=N3)N)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O6S/c20-18-21-16-15(24(18)32(30,31)14-7-5-13(6-8-14)25(28)29)17(26)23(10-12-3-4-12)19(27)22(16)9-11-1-2-11/h5-8,11-12H,1-4,9-10H2,(H2,20,21)