8-(2-butoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-propyl-7H-purine-2,6-dione

Systemtic Name: 8-(2-butoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-propyl-7H-purine-2,6-dione Openeye Name: 8-(2-butoxy-5-morpholinosulfonyl-phenyl)-3-propyl-7H-purine-2,6-dione CAS Name: 8-[2-butoxy-5-(4-morpholinylsulfonyl)phenyl]-3-propyl-7H-purine-2,6-dione IUPAC Name: 8-(2-butoxy-5-morpholin-4-ylsulfonylphenyl)-3-propyl-7H-purine-2,6-dione Traditional Name: 8-(2-butoxy-5-morpholinosulfonyl-phenyl)-3-propyl-7H-purine-2,6-quinone Formula: C22H29N5O6S MolecularWeight: 491.56056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NC4=C(N3)C(=O)NC(=O)N4CCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NC4=C(N3)C(=O)NC(=O)N4CCC

InChI

InChI=1S/C22H29N5O6S/c1-3-5-11-33-17-7-6-15(34(30,31)26-9-12-32-13-10-26)14-16(17)19-23-18-20(24-19)27(8-4-2)22(29)25-21(18)28/h6-7,14H,3-5,8-13H2,1-2H3,(H,23,24)(H,25,28,29)