[5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-methyl-4-[[(2R)-tetrahydrofuran-2-yl]methylamino]thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [5-methyl-4-[[(2R)-2-oxolanyl]methylamino]-6-thieno[2,3-d]pyrimidinyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-methyl-4-[[(2R)-tetrahydrofuran-2-yl]methylamino]thieno[2,3-d]pyrimidin-6-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C20H30N5O2S+ MolecularWeight: 404.5495

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=C(C3=C(N=CN=C3S2)NCC4CCCO4)C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=C(C3=C(N=CN=C3S2)NC[C@H]4CCCO4)C

InChI

InChI=1S/C20H29N5O2S/c1-3-6-24-7-9-25(10-8-24)20(26)17-14(2)16-18(22-13-23-19(16)28-17)21-12-15-5-4-11-27-15/h13,15H,3-12H2,1-2H3,(H,21,22,23)/p+1/t15-/m1/s1