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

Systemtic Name: N-butyl-5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-butyl-5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-butyl-5-methyl-4-[3-(4-morpholin-4-iumyl)propylamino]-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-butyl-5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-butyl-5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C19H30N5O2S+ MolecularWeight: 392.5388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C2=C(N=CN=C2S1)NCCC[NH+]3CCOCC3)C

Isomeric SMILES

CCCCNC(=O)C1=C(C2=C(N=CN=C2S1)NCCC[NH+]3CCOCC3)C

InChI

InChI=1S/C19H29N5O2S/c1-3-4-6-21-18(25)16-14(2)15-17(22-13-23-19(15)27-16)20-7-5-8-24-9-11-26-12-10-24/h13H,3-12H2,1-2H3,(H,21,25)(H,20,22,23)/p+1