5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)-N-prop-2-enyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)-N-prop-2-enyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-allyl-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-4-[2-(1-piperidin-1-iumyl)ethylamino]-N-prop-2-enyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)-N-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-allyl-5-methyl-4-(2-piperidin-1-ium-1-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C18H26N5OS+ MolecularWeight: 360.49694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC[NH+]3CCCCC3)C(=O)NCC=C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC[NH+]3CCCCC3)C(=O)NCC=C

InChI

InChI=1S/C18H25N5OS/c1-3-7-20-17(24)15-13(2)14-16(21-12-22-18(14)25-15)19-8-11-23-9-5-4-6-10-23/h3,12H,1,4-11H2,2H3,(H,20,24)(H,19,21,22)/p+1