N-(4-propan-2-ylphenyl)-2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-propan-2-ylphenyl)-2-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(4-isopropylphenyl)-2-(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N-(4-propan-2-ylphenyl)-2-[(1,3,9-trimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N-(4-propan-2-ylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: 2-[(2,6-diketo-1,3,9-trimethyl-purin-8-yl)thio]-N-p-cumenyl-acetamide Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C19H23N5O3S/c1-11(2)12-6-8-13(9-7-12)20-14(25)10-28-18-21-15-16(22(18)3)23(4)19(27)24(5)17(15)26/h6-9,11H,10H2,1-5H3,(H,20,25)