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

Systemtic Name: 5-methyl-4-(4-methylpiperazin-4-ium-1-yl)-N-prop-2-enyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-allyl-5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-4-(4-methyl-1-piperazin-4-iumyl)-N-prop-2-enyl-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-4-(4-methylpiperazin-4-ium-1-yl)-N-prop-2-enylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-allyl-5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C16H22N5OS+ MolecularWeight: 332.44378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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