2-[(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)methyl]thieno[3,2-d]pyrimidin-4-olate

Systemtic Name: 2-[(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)methyl]thieno[3,2-d]pyrimidin-4-olate Openeye Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]thieno[3,2-d]pyrimidin-4-olate CAS Name: 2-[[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-4-thieno[3,2-d]pyrimidinolate IUPAC Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]thieno[3,2-d]pyrimidin-4-olate Traditional Name: 2-[[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]methyl]thieno[3,2-d]pyrimidin-4-olate Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CC[NH+](CC2)CC3=NC4=C(C(=N3)[O-])SC=C4

Isomeric SMILES

C1CC1C(=O)N2CC[NH+](CC2)CC3=NC4=C(C(=N3)[O-])SC=C4

InChI

InChI=1S/C15H18N4O2S/c20-14-13-11(3-8-22-13)16-12(17-14)9-18-4-6-19(7-5-18)15(21)10-1-2-10/h3,8,10H,1-2,4-7,9H2,(H,16,17,20)