2-[2,4-bis(azanyl)-6-oxidanylidene-5-(phenylmethyl)pyrimidin-1-yl]ethoxymethylphosphonic acid

Systemtic Name: 2-[2,4-bis(azanyl)-6-oxidanylidene-5-(phenylmethyl)pyrimidin-1-yl]ethoxymethylphosphonic acid Openeye Name: 2-(2,4-diamino-5-benzyl-6-oxo-pyrimidin-1-yl)ethoxymethylphosphonic acid CAS Name: 2-[2,4-diamino-6-oxo-5-(phenylmethyl)-1-pyrimidinyl]ethoxymethylphosphonic acid IUPAC Name: 2-(2,4-diamino-5-benzyl-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid Traditional Name: 2-(2,4-diamino-5-benzyl-6-keto-pyrimidin-1-yl)ethoxymethylphosphonic acid Formula: C14H19N4O5P MolecularWeight: 354.298221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(N=C(N(C2=O)CCOCP(=O)(O)O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(N=C(N(C2=O)CCOCP(=O)(O)O)N)N

InChI

InChI=1S/C14H19N4O5P/c15-12-11(8-10-4-2-1-3-5-10)13(19)18(14(16)17-12)6-7-23-9-24(20,21)22/h1-5H,6-9,15H2,(H2,16,17)(H2,20,21,22)