2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanylidene-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanylidene-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxo-thiazol-5-yl]ethyl phosphono hydrogen phosphate CAS Name: 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-2-oxo-5-thiazolyl]ethyl phosphono hydrogen phosphate IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate Traditional Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-2-keto-4-methyl-4-thiazolin-5-yl]ethyl phosphono hydrogen phosphate Formula: C12H18N4O8P2S MolecularWeight: 440.305842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=O)N1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CC1=C(SC(=O)N1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C12H18N4O8P2S/c1-7-10(3-4-23-26(21,22)24-25(18,19)20)27-12(17)16(7)6-9-5-14-8(2)15-11(9)13/h5H,3-4,6H2,1-2H3,(H,21,22)(H2,13,14,15)(H2,18,19,20)