2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(3-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-(3-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-3-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-3-methylbutyl)-4-methyl-5-thiazol-3-iumyl]ethyl-phosphonooxyphosphinic acid IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-hydroxy-3-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-3-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:

CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(CC(C)C)O)CCP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(CC(C)C)O)CCP(=O)(O)OP(=O)(O)O

InChI

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