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

Systemtic Name: 5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)-N-prop-2-enyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-allyl-5-methyl-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-prop-2-enyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)-N-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-allyl-5-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C18H26N5O2S+ MolecularWeight: 376.49634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2S/c1-3-5-20-17(24)15-13(2)14-16(21-12-22-18(14)26-15)19-6-4-7-23-8-10-25-11-9-23/h3,12H,1,4-11H2,2H3,(H,20,24)(H,19,21,22)/p+1