(NE)-2-methyl-N-[[4-[9-(oxan-2-yl)purin-6-yl]phenyl]methylidene]propane-2-sulfinamide

Systemtic Name: (NE)-2-methyl-N-[[4-[9-(oxan-2-yl)purin-6-yl]phenyl]methylidene]propane-2-sulfinamide Openeye Name: (NE)-2-methyl-N-[[4-(9-tetrahydropyran-2-ylpurin-6-yl)phenyl]methylene]propane-2-sulfinamide CAS Name: (NE)-2-methyl-N-[[4-[9-(2-oxanyl)-6-purinyl]phenyl]methylidene]-2-propanesulfinamide IUPAC Name: (NE)-2-methyl-N-[[4-[9-(oxan-2-yl)purin-6-yl]phenyl]methylidene]propane-2-sulfinamide Traditional Name: (NE)-2-methyl-N-[4-(9-tetrahydropyran-2-ylpurin-6-yl)benzylidene]propane-2-sulfinamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)N=CC1=CC=C(C=C1)C2=C3C(=NC=N2)N(C=N3)C4CCCCO4

Isomeric SMILES

CC(C)(C)S(=O)/N=C/C1=CC=C(C=C1)C2=C3C(=NC=N2)N(C=N3)C4CCCCO4

InChI

InChI=1S/C21H25N5O2S/c1-21(2,3)29(27)25-12-15-7-9-16(10-8-15)18-19-20(23-13-22-18)26(14-24-19)17-6-4-5-11-28-17/h7-10,12-14,17H,4-6,11H2,1-3H3/b25-12+