4-(furan-2-ylmethylamino)-5-methyl-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-(furan-2-ylmethylamino)-5-methyl-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(2-furylmethylamino)-5-methyl-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(2-furanylmethylamino)-5-methyl-N-[[1-(4-morpholin-4-iumyl)cyclopentyl]methyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(furan-2-ylmethylamino)-5-methyl-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(2-furfurylamino)-5-methyl-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H30N5O3S+ MolecularWeight: 456.581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=CC=CO3)C(=O)NCC4(CCCC4)[NH+]5CCOCC5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC=CO3)C(=O)NCC4(CCCC4)[NH+]5CCOCC5

InChI

InChI=1S/C23H29N5O3S/c1-16-18-20(24-13-17-5-4-10-31-17)26-15-27-22(18)32-19(16)21(29)25-14-23(6-2-3-7-23)28-8-11-30-12-9-28/h4-5,10,15H,2-3,6-9,11-14H2,1H3,(H,25,29)(H,24,26,27)/p+1