(2R)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-ethanoylphenyl)butanamide

Systemtic Name: (2R)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-ethanoylphenyl)butanamide Openeye Name: (2R)-N-(4-acetylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-butanamide CAS Name: (2R)-N-(4-acetylphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]butanamide IUPAC Name: (2R)-N-(4-acetylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanamide Traditional Name: (2R)-N-(4-acetylphenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]butyramide Formula: C16H19N5O2S MolecularWeight: 345.41936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C16H19N5O2S/c1-3-12(24-16-20-13(17)8-14(18)21-16)15(23)19-11-6-4-10(5-7-11)9(2)22/h4-8,12H,3H2,1-2H3,(H,19,23)(H4,17,18,20,21)/t12-/m1/s1