2-[5-methyl-4-oxidanylidene-6-(4-propylpiperazin-4-ium-1-yl)carbonyl-thieno[2,3-d]pyrimidin-3-yl]-N-propyl-ethanamide

Systemtic Name: 2-[5-methyl-4-oxidanylidene-6-(4-propylpiperazin-4-ium-1-yl)carbonyl-thieno[2,3-d]pyrimidin-3-yl]-N-propyl-ethanamide Openeye Name: 2-[5-methyl-4-oxo-6-(4-propylpiperazin-4-ium-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]-N-propyl-acetamide CAS Name: 2-[5-methyl-4-oxo-6-[oxo-(4-propyl-1-piperazin-4-iumyl)methyl]-3-thieno[2,3-d]pyrimidinyl]-N-propylacetamide IUPAC Name: 2-[5-methyl-4-oxo-6-(4-propylpiperazin-4-ium-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]-N-propylacetamide Traditional Name: 2-[4-keto-5-methyl-6-(4-propylpiperazin-4-ium-1-carbonyl)thieno[2,3-d]pyrimidin-3-yl]-N-propyl-acetamide Formula: C20H30N5O3S+ MolecularWeight: 420.5489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CC[NH+](CC3)CCC)C

Isomeric SMILES

CCCNC(=O)CN1C=NC2=C(C1=O)C(=C(S2)C(=O)N3CC[NH+](CC3)CCC)C

InChI

InChI=1S/C20H29N5O3S/c1-4-6-21-15(26)12-25-13-22-18-16(19(25)27)14(3)17(29-18)20(28)24-10-8-23(7-5-2)9-11-24/h13H,4-12H2,1-3H3,(H,21,26)/p+1