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

Systemtic Name: 4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylamino]pentyl phosphono hydrogen phosphate Openeye Name: 4-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]pentyl phosphono hydrogen phosphate CAS Name: 4-[(4-amino-2-methyl-5-pyrimidinyl)methylamino]pentyl phosphono hydrogen phosphate IUPAC Name: 4-[(4-amino-2-methylpyrimidin-5-yl)methylamino]pentyl phosphono hydrogen phosphate Traditional Name: 4-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]pentyl phosphono hydrogen phosphate Formula: C11H22N4O7P2 MolecularWeight: 384.262502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CNC(C)CCCOP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=N1)N)CNC(C)CCCOP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C11H22N4O7P2/c1-8(13-6-10-7-14-9(2)15-11(10)12)4-3-5-21-24(19,20)22-23(16,17)18/h7-8,13H,3-6H2,1-2H3,(H,19,20)(H2,12,14,15)(H2,16,17,18)