4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C24H30N5O2S+ MolecularWeight: 452.5923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CCC4=CC=CC=C4C3)C(=O)NCCC[NH+]5CCOCC5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CCC4=CC=CC=C4C3)C(=O)NCCC[NH+]5CCOCC5

InChI

InChI=1S/C24H29N5O2S/c1-17-20-22(29-10-7-18-5-2-3-6-19(18)15-29)26-16-27-24(20)32-21(17)23(30)25-8-4-9-28-11-13-31-14-12-28/h2-3,5-6,16H,4,7-15H2,1H3,(H,25,30)/p+1