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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(4-acetylphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(4-acetylphenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]propionamide Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O2S/c1-8(21)10-3-5-11(6-4-10)18-14(22)9(2)23-15-19-12(16)7-13(17)20-15/h3-7,9H,1-2H3,(H,18,22)(H4,16,17,19,20)