3-butyl-1-methyl-8-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-7H-purine-2,6-dione

Systemtic Name: 3-butyl-1-methyl-8-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-7H-purine-2,6-dione Openeye Name: 3-butyl-1-methyl-8-(5-morpholinosulfonyl-2-propoxy-phenyl)-7H-purine-2,6-dione CAS Name: 3-butyl-1-methyl-8-[5-(4-morpholinylsulfonyl)-2-propoxyphenyl]-7H-purine-2,6-dione IUPAC Name: 3-butyl-1-methyl-8-(5-morpholin-4-ylsulfonyl-2-propoxyphenyl)-7H-purine-2,6-dione Traditional Name: 3-butyl-1-methyl-8-(5-morpholinosulfonyl-2-propoxy-phenyl)-7H-purine-2,6-quinone Formula: C23H31N5O6S MolecularWeight: 505.58714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OCCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OCCC

InChI

InChI=1S/C23H31N5O6S/c1-4-6-9-28-21-19(22(29)26(3)23(28)30)24-20(25-21)17-15-16(7-8-18(17)34-12-5-2)35(31,32)27-10-13-33-14-11-27/h7-8,15H,4-6,9-14H2,1-3H3,(H,24,25)