N-[4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]-2-ethoxy-phenyl]propanamide

Systemtic Name: N-[4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]-2-ethoxy-phenyl]propanamide Openeye Name: N-[4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-2-ethoxy-phenyl]propanamide CAS Name: N-[4-[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]-2-ethoxyphenyl]propanamide IUPAC Name: N-[4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-2-ethoxyphenyl]propanamide Traditional Name: N-[4-[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]-2-ethoxy-phenyl]propionamide Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)C(=O)CSC2=NC(=CC(=N2)N)N)OCC

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)C(=O)CSC2=NC(=CC(=N2)N)N)OCC

InChI

InChI=1S/C17H21N5O3S/c1-3-16(24)20-11-6-5-10(7-13(11)25-4-2)12(23)9-26-17-21-14(18)8-15(19)22-17/h5-8H,3-4,9H2,1-2H3,(H,20,24)(H4,18,19,21,22)