5-azanyl-4-[3-(2-bromanylethanoylamino)phenyl]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-azanyl-4-[3-(2-bromanylethanoylamino)phenyl]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-4-[3-[(2-bromoacetyl)amino]phenyl]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-4-[3-[(2-bromo-1-oxoethyl)amino]phenyl]-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-amino-4-[3-[(2-bromoacetyl)amino]phenyl]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-4-[3-[(2-bromoacetyl)amino]phenyl]-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C16H14BrN5O2S2 MolecularWeight: 452.34866

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2C(=C(SC2=N1)C(=O)N)N)C3=CC(=CC=C3)NC(=O)CBr

Isomeric SMILES

CSC1=NC(=C2C(=C(SC2=N1)C(=O)N)N)C3=CC(=CC=C3)NC(=O)CBr

InChI

InChI=1S/C16H14BrN5O2S2/c1-25-16-21-12(7-3-2-4-8(5-7)20-9(23)6-17)10-11(18)13(14(19)24)26-15(10)22-16/h2-5H,6,18H2,1H3,(H2,19,24)(H,20,23)