5-azanyl-2-methylsulfanyl-4-[3-(2-pyrrolidin-1-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-azanyl-2-methylsulfanyl-4-[3-(2-pyrrolidin-1-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-2-methylsulfanyl-4-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-2-(methylthio)-4-[3-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]phenyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-amino-2-methylsulfanyl-4-[3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-2-(methylthio)-4-[3-[(2-pyrrolidinoacetyl)amino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H22N6O2S2 MolecularWeight: 442.55768

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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)CN4CCCC4

Isomeric SMILES

CSC1=NC(=C2C(=C(SC2=N1)C(=O)N)N)C3=CC(=CC=C3)NC(=O)CN4CCCC4

InChI

InChI=1S/C20H22N6O2S2/c1-29-20-24-16(14-15(21)17(18(22)28)30-19(14)25-20)11-5-4-6-12(9-11)23-13(27)10-26-7-2-3-8-26/h4-6,9H,2-3,7-8,10,21H2,1H3,(H2,22,28)(H,23,27)