2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(2-methyl-1-oxidanyl-butyl)-1,3-thiazol-3-ium-5-yl]ethyl-phosphonooxy-phosphinic acid

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(2-methyl-1-oxidanyl-butyl)-1,3-thiazol-3-ium-5-yl]ethyl-phosphonooxy-phosphinic acid Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-(1-hydroxy-2-methyl-butyl)-4-methyl-thiazol-3-ium-5-yl]ethyl-phosphonooxy-phosphinic acid CAS Name: 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-2-(1-hydroxy-2-methylbutyl)-4-methyl-5-thiazol-3-iumyl]ethyl-phosphonooxyphosphinic acid IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxy-2-methylbutyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl-phosphonooxyphosphinic acid Traditional Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-(1-hydroxy-2-methyl-butyl)-4-methyl-thiazol-3-ium-5-yl]ethyl-phosphonooxy-phosphinic acid Formula: C17H29N4O7P2S+ MolecularWeight: 495.447282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=[N+](C(=C(S1)CCP(=O)(O)OP(=O)(O)O)C)CC2=CN=C(N=C2N)C)O

Isomeric SMILES

CCC(C)C(C1=[N+](C(=C(S1)CCP(=O)(O)OP(=O)(O)O)C)CC2=CN=C(N=C2N)C)O

InChI

InChI=1S/C17H28N4O7P2S/c1-5-10(2)15(22)17-21(9-13-8-19-12(4)20-16(13)18)11(3)14(31-17)6-7-29(23,24)28-30(25,26)27/h8,10,15,22H,5-7,9H2,1-4H3,(H4-,18,19,20,23,24,25,26,27)/p+1