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

Systemtic Name: N-(4-dimethylaminophenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(4-dimethylaminophenyl)-2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(4-dimethylaminophenyl)-2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]acetamide IUPAC Name: N-(4-dimethylaminophenyl)-2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetamide Traditional Name: N-(4-dimethylaminophenyl)-2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetamide Formula: C20H26N6O3S MolecularWeight: 430.52384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)N(C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)N(C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H26N6O3S/c1-12(2)26-16-17(24(5)20(29)25(6)18(16)28)22-19(26)30-11-15(27)21-13-7-9-14(10-8-13)23(3)4/h7-10,12H,11H2,1-6H3,(H,21,27)