N-[(2S)-6-methylheptan-2-yl]-4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(2S)-6-methylheptan-2-yl]-4-[(4-oxidanylidene-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-4-[[4-oxo-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-carboxamide CAS Name: N-[(2S)-6-methylheptan-2-yl]-4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(2S)-6-methylheptan-2-yl]-4-[(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-4-[[4-keto-5-(2-thienyl)-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-4-ium-1-carboxamide Formula: C24H34N5O2S2+ MolecularWeight: 488.68906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)N1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)N1CC[NH+](CC1)CC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2

InChI

InChI=1S/C24H33N5O2S2/c1-16(2)6-4-7-17(3)25-24(31)29-11-9-28(10-12-29)14-20-26-22(30)21-18(15-33-23(21)27-20)19-8-5-13-32-19/h5,8,13,15-17H,4,6-7,9-12,14H2,1-3H3,(H,25,31)(H,26,27,30)/p+1/t17-/m0/s1