3-(9-butan-2-yl-8-methylsulfanyl-2-morpholin-4-yl-purin-6-yl)phenol

Systemtic Name: 3-(9-butan-2-yl-8-methylsulfanyl-2-morpholin-4-yl-purin-6-yl)phenol Openeye Name: 3-(8-methylsulfanyl-2-morpholino-9-sec-butyl-purin-6-yl)phenol CAS Name: 3-[9-butan-2-yl-8-(methylthio)-2-(4-morpholinyl)-6-purinyl]phenol IUPAC Name: 3-(9-butan-2-yl-8-methylsulfanyl-2-morpholin-4-ylpurin-6-yl)phenol Traditional Name: 3-[8-(methylthio)-2-morpholino-9-sec-butyl-purin-6-yl]phenol Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=NC(=NC(=C2N=C1SC)C3=CC(=CC=C3)O)N4CCOCC4

Isomeric SMILES

CCC(C)N1C2=NC(=NC(=C2N=C1SC)C3=CC(=CC=C3)O)N4CCOCC4

InChI

InChI=1S/C20H25N5O2S/c1-4-13(2)25-18-17(22-20(25)28-3)16(14-6-5-7-15(26)12-14)21-19(23-18)24-8-10-27-11-9-24/h5-7,12-13,26H,4,8-11H2,1-3H3