(2S)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)SC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C20H21N5O2S/c1-12-8-9-15(27-2)14(10-12)23-19(26)18(13-6-4-3-5-7-13)28-20-24-16(21)11-17(22)25-20/h3-11,18H,1-2H3,(H,23,26)(H4,21,22,24,25)/t18-/m0/s1