N-[3-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]phenyl]propanamide

Systemtic Name: N-[3-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]phenyl]propanamide Openeye Name: N-[3-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide CAS Name: N-[3-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]phenyl]propanamide IUPAC Name: N-[3-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]phenyl]propanamide Traditional Name: N-[3-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]phenyl]propionamide Formula: C15H18N6O2S MolecularWeight: 346.40742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6O2S/c1-2-13(22)18-9-4-3-5-10(6-9)19-14(23)8-24-15-20-11(16)7-12(17)21-15/h3-7H,2,8H2,1H3,(H,18,22)(H,19,23)(H4,16,17,20,21)