2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-[3-(4-ethoxyphenoxy)-5-nitro-phenyl]acetamide Formula: C20H20N6O5S MolecularWeight: 456.475

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C20H20N6O5S/c1-2-30-14-3-5-15(6-4-14)31-16-8-12(7-13(9-16)26(28)29)23-19(27)11-32-20-24-17(21)10-18(22)25-20/h3-10H,2,11H2,1H3,(H,23,27)(H4,21,22,24,25)