2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]ethanamide Openeye Name: 2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]-N-[(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N-p-anisyl-acetamide Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)NCC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)NCC3=CC=C(C=C3)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H25N5O4S/c1-12(2)25-16-17(23(3)20(28)24(4)18(16)27)22-19(25)30-11-15(26)21-10-13-6-8-14(29-5)9-7-13/h6-9,12H,10-11H2,1-5H3,(H,21,26)