[(Z)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylamino]-3-sulfanyl-pent-3-enyl] phosphono hydrogen phosphate

Systemtic Name: [(Z)-4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylamino]-3-sulfanyl-pent-3-enyl] phosphono hydrogen phosphate Openeye Name: [(Z)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]-3-sulfanyl-pent-3-enyl] phosphono hydrogen phosphate CAS Name: [(Z)-4-[(4-amino-2-methyl-5-pyrimidinyl)methylamino]-3-mercaptopent-3-enyl] phosphono hydrogen phosphate IUPAC Name: [(Z)-4-[(4-amino-2-methylpyrimidin-5-yl)methylamino]-3-sulfanylpent-3-enyl] phosphono hydrogen phosphate Traditional Name: [(Z)-4-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]-3-mercapto-pent-3-enyl] 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(CCOP(=O)(O)OP(=O)(O)O)S)C

Isomeric SMILES

CC1=NC=C(C(=N1)N)CN/C(=C(/CCOP(=O)(O)OP(=O)(O)O)\S)/C

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/h6,13,25H,3-5H2,1-2H3,(H,19,20)(H2,12,14,15)(H2,16,17,18)/b10-7-