2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(5-bromanylthiophen-2-yl)methyl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(5-bromanylthiophen-2-yl)methyl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-N-[(5-bromo-2-thienyl)methyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(5-bromo-2-thiophenyl)methyl]-2-[(4,6-diamino-2-pyrimidinyl)thio]-N-prop-2-enylacetamide IUPAC Name: N-[(5-bromothiophen-2-yl)methyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide Traditional Name: N-allyl-N-[(5-bromo-2-thienyl)methyl]-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C14H16BrN5OS2 MolecularWeight: 414.34374

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Br)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Br)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C14H16BrN5OS2/c1-2-5-20(7-9-3-4-10(15)23-9)13(21)8-22-14-18-11(16)6-12(17)19-14/h2-4,6H,1,5,7-8H2,(H4,16,17,18,19)