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

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[4-(furan-2-ylmethylamino)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[4-(2-furylmethylamino)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[4-(2-furanylmethylamino)-5-methyl-6-thieno[2,3-d]pyrimidinyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[4-(furan-2-ylmethylamino)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[4-(2-furfurylamino)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]methanone Formula: C19H24N5O2S+ MolecularWeight: 386.49116

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(C3=C(N=CN=C3S2)NCC4=CC=CO4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(C3=C(N=CN=C3S2)NCC4=CC=CO4)C

InChI

InChI=1S/C19H23N5O2S/c1-3-23-6-8-24(9-7-23)19(25)16-13(2)15-17(21-12-22-18(15)27-16)20-11-14-5-4-10-26-14/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,20,21,22)/p+1