2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]phenyl]ethyl phosphono hydrogen phosphate

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]phenyl]ethyl phosphono hydrogen phosphate Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]phenyl]ethyl phosphono hydrogen phosphate CAS Name: 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]phenyl]ethyl phosphono hydrogen phosphate IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]phenyl]ethyl phosphono hydrogen phosphate Traditional Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]phenyl]ethyl phosphono hydrogen phosphate Formula: C14H19N3O7P2 MolecularWeight: 403.264082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)N)CC2=CC(=CC=C2)CCOP(=O)(O)OP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=N1)N)CC2=CC(=CC=C2)CCOP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C14H19N3O7P2/c1-10-16-9-13(14(15)17-10)8-12-4-2-3-11(7-12)5-6-23-26(21,22)24-25(18,19)20/h2-4,7,9H,5-6,8H2,1H3,(H,21,22)(H2,15,16,17)(H2,18,19,20)