4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-N-(4-ethanoylphenyl)benzamide

Systemtic Name: 4-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-N-(4-ethanoylphenyl)benzamide Openeye Name: N-(4-acetylphenyl)-4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: N-(4-acetylphenyl)-4-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]benzamide IUPAC Name: N-(4-acetylphenyl)-4-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(4-acetylphenyl)-4-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]benzamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C20H19N5O2S/c1-12(26)14-6-8-16(9-7-14)23-19(27)15-4-2-13(3-5-15)11-28-20-24-17(21)10-18(22)25-20/h2-10H,11H2,1H3,(H,23,27)(H4,21,22,24,25)