2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-N-(3,5-dimethylphenyl)ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C20H25N5O3S/c1-11(2)25-16-17(23(5)20(28)24(6)18(16)27)22-19(25)29-10-15(26)21-14-8-12(3)7-13(4)9-14/h7-9,11H,10H2,1-6H3,(H,21,26)