2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[(6-oxidanylidene-9-phenyl-3H-purin-8-yl)sulfanyl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: N-(4-isopropylphenyl)-2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]acetamide CAS Name: 2-[(6-oxo-9-phenyl-3H-purin-8-yl)thio]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[(6-oxo-9-phenyl-3H-purin-8-yl)sulfanyl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[(6-keto-9-phenyl-3H-purin-8-yl)thio]-N-p-cumenyl-acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C4=CC=CC=C4)NC=NC3=O

InChI

InChI=1S/C22H21N5O2S/c1-14(2)15-8-10-16(11-9-15)25-18(28)12-30-22-26-19-20(23-13-24-21(19)29)27(22)17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3,(H,25,28)(H,23,24,29)