2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-tert-butylphenyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-tert-butylphenyl)ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(4-tert-butylphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-tert-butylphenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C16H21N5OS/c1-16(2,3)10-4-6-11(7-5-10)19-14(22)9-23-15-20-12(17)8-13(18)21-15/h4-8H,9H2,1-3H3,(H,19,22)(H4,17,18,20,21)