(4-methylpiperazin-4-ium-1-yl)-[5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl]methanone Openeye Name: [4-(allylamino)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[5-methyl-4-(prop-2-enylamino)-6-thieno[2,3-d]pyrimidinyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[5-methyl-4-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl]methanone Traditional Name: [4-(allylamino)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC=C)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC=C)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H21N5OS/c1-4-5-17-14-12-11(2)13(23-15(12)19-10-18-14)16(22)21-8-6-20(3)7-9-21/h4,10H,1,5-9H2,2-3H3,(H,17,18,19)/p+1