2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl-methyl-amino]-N-(3-methoxyphenyl)ethanamide

Systemtic Name: 2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl-methyl-amino]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-methyl-amino]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]-methyl-amino]-N-(3-methoxyphenyl)acetamide Formula: C16H20N6O3S MolecularWeight: 376.4334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O3S/c1-22(8-14(23)19-10-4-3-5-11(6-10)25-2)15(24)9-26-16-20-12(17)7-13(18)21-16/h3-7H,8-9H2,1-2H3,(H,19,23)(H4,17,18,20,21)