[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylamino]-3-sulfanylidene-pentyl] phosphono hydrogen phosphate

Systemtic Name: [4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylamino]-3-sulfanylidene-pentyl] phosphono hydrogen phosphate Openeye Name: [4-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]-3-thioxo-pentyl] phosphono hydrogen phosphate CAS Name: [4-[(4-amino-2-methyl-5-pyrimidinyl)methylamino]-3-sulfanylidenepentyl] phosphono hydrogen phosphate IUPAC Name: [4-[(4-amino-2-methylpyrimidin-5-yl)methylamino]-3-sulfanylidenepentyl] phosphono hydrogen phosphate Traditional Name: [4-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]-3-thioxo-pentyl] phosphono hydrogen phosphate Formula: C11H20N4O7P2S MolecularWeight: 414.311622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CNC(C)C(=S)CCOP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=N1)N)CNC(C)C(=S)CCOP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C11H20N4O7P2S/c1-7(13-5-9-6-14-8(2)15-11(9)12)10(25)3-4-21-24(19,20)22-23(16,17)18/h6-7,13H,3-5H2,1-2H3,(H,19,20)(H2,12,14,15)(H2,16,17,18)