5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-N-[(1R)-1-methyl-2-(3-thienyl)ethyl]-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-4-[3-(4-morpholin-4-iumyl)propylamino]-N-[(2R)-1-(3-thiophenyl)propan-2-yl]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-methyl-N-[(1R)-1-methyl-2-(3-thienyl)ethyl]-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C22H30N5O2S2+ MolecularWeight: 460.6359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCC[NH+]3CCOCC3)C(=O)NC(C)CC4=CSC=C4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCC[NH+]3CCOCC3)C(=O)N[C@H](C)CC4=CSC=C4

InChI

InChI=1S/C22H29N5O2S2/c1-15(12-17-4-11-30-13-17)26-21(28)19-16(2)18-20(24-14-25-22(18)31-19)23-5-3-6-27-7-9-29-10-8-27/h4,11,13-15H,3,5-10,12H2,1-2H3,(H,26,28)(H,23,24,25)/p+1/t15-/m1/s1