5-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-N-[(3-methyl-3-oxetanyl)methyl]-4-[2-(4-morpholin-4-iumyl)ethylamino]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C19H28N5O3S+ MolecularWeight: 406.52232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC[NH+]3CCOCC3)C(=O)NCC4(COC4)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC[NH+]3CCOCC3)C(=O)NCC4(COC4)C

InChI

InChI=1S/C19H27N5O3S/c1-13-14-16(20-3-4-24-5-7-26-8-6-24)22-12-23-18(14)28-15(13)17(25)21-9-19(2)10-27-11-19/h12H,3-11H2,1-2H3,(H,21,25)(H,20,22,23)/p+1