5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4-(3-phenylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4-(3-phenylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4-(3-phenylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-4-(3-phenylpropylamino)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4-(3-phenylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-4-(3-phenylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C23H30N5O2S+ MolecularWeight: 440.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCCC3=CC=CC=C3)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCCC3=CC=CC=C3)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C23H29N5O2S/c1-17-19-21(24-9-5-8-18-6-3-2-4-7-18)26-16-27-23(19)31-20(17)22(29)25-10-11-28-12-14-30-15-13-28/h2-4,6-7,16H,5,8-15H2,1H3,(H,25,29)(H,24,26,27)/p+1