5-methyl-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 4-(allylamino)-5-methyl-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-N-[[1-(4-morpholin-4-iumyl)cyclopentyl]methyl]-4-(prop-2-enylamino)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]-4-(prop-2-enylamino)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-(allylamino)-5-methyl-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H30N5O2S+ MolecularWeight: 416.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC=C)C(=O)NCC3(CCCC3)[NH+]4CCOCC4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC=C)C(=O)NCC3(CCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C21H29N5O2S/c1-3-8-22-18-16-15(2)17(29-20(16)25-14-24-18)19(27)23-13-21(6-4-5-7-21)26-9-11-28-12-10-26/h3,14H,1,4-13H2,2H3,(H,23,27)(H,22,24,25)/p+1