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

Systemtic Name: N-(2,2-dimethyl-3-oxidanyl-propyl)-5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(3-hydroxy-2,2-dimethyl-propyl)-5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(3-hydroxy-2,2-dimethylpropyl)-5-methyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(3-hydroxy-2,2-dimethylpropyl)-5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(3-hydroxy-2,2-dimethyl-propyl)-5-methyl-4-(2-morpholin-4-ium-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C19H30N5O3S+ MolecularWeight: 408.5382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O3S/c1-13-14-16(20-4-5-24-6-8-27-9-7-24)22-12-23-18(14)28-15(13)17(26)21-10-19(2,3)11-25/h12,25H,4-11H2,1-3H3,(H,21,26)(H,20,22,23)/p+1