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

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-thioxo-thiazol-5-yl]ethyl phosphono hydrogen phosphate CAS Name: 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-2-sulfanylidene-5-thiazolyl]ethyl phosphono hydrogen phosphate IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-sulfanylidene-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate Traditional Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-thioxo-4-thiazolin-5-yl]ethyl phosphono hydrogen phosphate Formula: C12H18N4O7P2S2 MolecularWeight: 456.371442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N4O7P2S2/c1-7-10(3-4-22-25(20,21)23-24(17,18)19)27-12(26)16(7)6-9-5-14-8(2)15-11(9)13/h5H,3-4,6H2,1-2H3,(H,20,21)(H2,13,14,15)(H2,17,18,19)