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

Systemtic Name: N-(1-adamantyl)-5-methyl-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(1-adamantyl)-5-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(1-adamantyl)-5-methyl-4-[3-(2-oxo-1-pyrrolidinyl)propylamino]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(1-adamantyl)-5-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylamino]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(1-adamantyl)-4-[3-(2-ketopyrrolidino)propylamino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C25H33N5O2S MolecularWeight: 467.62682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCCN3CCCC3=O)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCCN3CCCC3=O)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H33N5O2S/c1-15-20-22(26-5-3-7-30-6-2-4-19(30)31)27-14-28-24(20)33-21(15)23(32)29-25-11-16-8-17(12-25)10-18(9-16)13-25/h14,16-18H,2-13H2,1H3,(H,29,32)(H,26,27,28)