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

Systemtic Name: N-(furan-2-ylmethyl)-5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-(2-furylmethyl)-5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-(2-furanylmethyl)-5-methyl-4-(4-methyl-1-piperazin-4-iumyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: N-(2-furfuryl)-5-methyl-4-(4-methylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C18H22N5O2S+ MolecularWeight: 372.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CC[NH+](CC3)C)C(=O)NCC4=CC=CO4

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CC[NH+](CC3)C)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C18H21N5O2S/c1-12-14-16(23-7-5-22(2)6-8-23)20-11-21-18(14)26-15(12)17(24)19-10-13-4-3-9-25-13/h3-4,9,11H,5-8,10H2,1-2H3,(H,19,24)/p+1