1-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-ylidene]ethanol diphosphate

Systemtic Name: 1-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-ylidene]ethanol diphosphate Openeye Name: 1-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-ethyl-4-methyl-thiazol-2-ylidene]ethanol diphosphate CAS Name: 1-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-ethyl-4-methyl-2-thiazolylidene]ethanol diphosphate IUPAC Name: 1-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-ethyl-4-methyl-1,3-thiazol-2-ylidene]ethanol diphosphate Traditional Name: 1-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-ethyl-4-methyl-4-thiazolin-2-ylidene]ethanol diphosphate Formula: C14H20N4O9P2S-6 MolecularWeight: 482.342522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=C(C)O)S1)CC2=CN=C(N=C2N)C)C.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCC1=C(N(C(=C(C)O)S1)CC2=CN=C(N=C2N)C)C.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C14H20N4OS.2H3O4P/c1-5-12-8(2)18(14(20-12)9(3)19)7-11-6-16-10(4)17-13(11)15;2*1-5(2,3)4/h6,19H,5,7H2,1-4H3,(H2,15,16,17);2*(H3,1,2,3,4)/p-6