2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-ethanoylphenyl)-2-phenyl-ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(3-ethanoylphenyl)-2-phenyl-ethanamide Openeye Name: N-(3-acetylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-2-phenyl-acetamide CAS Name: N-(3-acetylphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]-2-phenylacetamide IUPAC Name: N-(3-acetylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-2-phenylacetamide Traditional Name: N-(3-acetylphenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]-2-phenyl-acetamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C20H19N5O2S/c1-12(26)14-8-5-9-15(10-14)23-19(27)18(13-6-3-2-4-7-13)28-20-24-16(21)11-17(22)25-20/h2-11,18H,1H3,(H,23,27)(H4,21,22,24,25)