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

Systemtic Name: [4-(furan-2-ylmethylamino)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-(2-furylmethylamino)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [4-(2-furanylmethylamino)-5-methyl-6-thieno[2,3-d]pyrimidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-(2-furfurylamino)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H22N5O2S+ MolecularWeight: 372.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCC3=CC=CO3)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCC3=CC=CO3)C(=O)N4CC[NH+](CC4)C

InChI

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