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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

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