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

Systemtic Name: [5-methyl-4-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[5-methyl-4-[[(3S)-tetrahydrofuran-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone CAS Name: [5-methyl-4-[[(3S)-3-oxolanyl]amino]-6-thieno[2,3-d]pyrimidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-methyl-4-[[(3S)-oxolan-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[5-methyl-4-[[(3S)-tetrahydrofuran-3-yl]amino]thieno[2,3-d]pyrimidin-6-yl]methanone Formula: C17H24N5O2S+ MolecularWeight: 362.46976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3CCOC3)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N[C@H]3CCOC3)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C17H23N5O2S/c1-11-13-15(20-12-3-8-24-9-12)18-10-19-16(13)25-14(11)17(23)22-6-4-21(2)5-7-22/h10,12H,3-9H2,1-2H3,(H,18,19,20)/p+1/t12-/m0/s1