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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[4-(4-ethoxyphenoxy)phenyl]ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[4-(4-ethoxyphenoxy)phenyl]acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[4-(4-ethoxyphenoxy)phenyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[4-(4-ethoxyphenoxy)phenyl]acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-[4-(4-ethoxyphenoxy)phenyl]acetamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C20H21N5O3S/c1-2-27-14-7-9-16(10-8-14)28-15-5-3-13(4-6-15)23-19(26)12-29-20-24-17(21)11-18(22)25-20/h3-11H,2,12H2,1H3,(H,23,26)(H4,21,22,24,25)