2-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-9-(2-oxidanyl-6-phenyl-hexan-3-yl)-3H-purin-6-one

Systemtic Name: 2-(5-morpholin-4-ylsulfonyl-2-propoxy-phenyl)-9-(2-oxidanyl-6-phenyl-hexan-3-yl)-3H-purin-6-one Openeye Name: 9-[1-(1-hydroxyethyl)-4-phenyl-butyl]-2-(5-morpholinosulfonyl-2-propoxy-phenyl)-3H-purin-6-one CAS Name: 9-(2-hydroxy-6-phenylhexan-3-yl)-2-[5-(4-morpholinylsulfonyl)-2-propoxyphenyl]-3H-purin-6-one IUPAC Name: 9-(2-hydroxy-6-phenylhexan-3-yl)-2-(5-morpholin-4-ylsulfonyl-2-propoxyphenyl)-3H-purin-6-one Traditional Name: 9-[1-(1-hydroxyethyl)-4-phenyl-butyl]-2-(5-morpholinosulfonyl-2-propoxy-phenyl)-3H-purin-6-one Formula: C30H37N5O6S MolecularWeight: 595.70968

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NC(=O)C4=C(N3)N(C=N4)C(CCCC5=CC=CC=C5)C(C)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NC(=O)C4=C(N3)N(C=N4)C(CCCC5=CC=CC=C5)C(C)O

InChI

InChI=1S/C30H37N5O6S/c1-3-16-41-26-13-12-23(42(38,39)34-14-17-40-18-15-34)19-24(26)28-32-29-27(30(37)33-28)31-20-35(29)25(21(2)36)11-7-10-22-8-5-4-6-9-22/h4-6,8-9,12-13,19-21,25,36H,3,7,10-11,14-18H2,1-2H3,(H,32,33,37)