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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(4-butoxyphenyl)ethanamide Openeye Name: N-(4-butoxyphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(4-butoxyphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-butoxyphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-butoxyphenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C16H21N5O2S/c1-2-3-8-23-12-6-4-11(5-7-12)19-15(22)10-24-16-20-13(17)9-14(18)21-16/h4-7,9H,2-3,8,10H2,1H3,(H,19,22)(H4,17,18,20,21)