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

Systemtic Name: N-[4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]-2-methoxy-phenyl]propanamide Openeye Name: N-[4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-2-methoxy-phenyl]propanamide CAS Name: N-[4-[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]-2-methoxyphenyl]propanamide IUPAC Name: N-[4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-2-methoxyphenyl]propanamide Traditional Name: N-[4-[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]-2-methoxy-phenyl]propionamide Formula: C16H19N5O3S MolecularWeight: 361.41876

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O3S/c1-3-15(23)19-10-5-4-9(6-12(10)24-2)11(22)8-25-16-20-13(17)7-14(18)21-16/h4-7H,3,8H2,1-2H3,(H,19,23)(H4,17,18,20,21)