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

Systemtic Name: N-(4-dimethylaminophenyl)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(4-dimethylaminophenyl)-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(4-dimethylaminophenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(4-dimethylaminophenyl)-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: 2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]-N-(4-dimethylaminophenyl)acetamide Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)N(C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)N(C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H22N6O3S/c1-21(2)12-8-6-11(7-9-12)19-13(25)10-28-17-20-15-14(22(17)3)16(26)24(5)18(27)23(15)4/h6-9H,10H2,1-5H3,(H,19,25)