5-methyl-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]-N-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]-N-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-benzyl-5-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-4-[3-(2-oxo-1-pyrrolidinyl)propylamino]-N-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-benzyl-5-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-benzyl-4-[3-(2-ketopyrrolidino)propylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCCN3CCCC3=O)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCCN3CCCC3=O)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O2S/c1-15-18-20(23-10-6-12-27-11-5-9-17(27)28)25-14-26-22(18)30-19(15)21(29)24-13-16-7-3-2-4-8-16/h2-4,7-8,14H,5-6,9-13H2,1H3,(H,24,29)(H,23,25,26)