[4-[3-(2-azanyl-6-methanoyl-4-oxidanylidene-1H-pyrimidin-5-yl)propylamino]phenyl] dihydrogen phosphate

Systemtic Name: [4-[3-(2-azanyl-6-methanoyl-4-oxidanylidene-1H-pyrimidin-5-yl)propylamino]phenyl] dihydrogen phosphate Openeye Name: [4-[3-(2-amino-6-formyl-4-oxo-1H-pyrimidin-5-yl)propylamino]phenyl] dihydrogen phosphate CAS Name: [4-[3-(2-amino-6-formyl-4-oxo-1H-pyrimidin-5-yl)propylamino]phenyl] dihydrogen phosphate IUPAC Name: [4-[3-(2-amino-6-formyl-4-oxo-1H-pyrimidin-5-yl)propylamino]phenyl] dihydrogen phosphate Traditional Name: [4-[3-(2-amino-6-formyl-4-keto-1H-pyrimidin-5-yl)propylamino]phenyl] dihydrogen phosphate Formula: C14H17N4O6P MolecularWeight: 368.281741

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCCC2=C(NC(=NC2=O)N)C=O)OP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1NCCCC2=C(NC(=NC2=O)N)C=O)OP(=O)(O)O

InChI

InChI=1S/C14H17N4O6P/c15-14-17-12(8-19)11(13(20)18-14)2-1-7-16-9-3-5-10(6-4-9)24-25(21,22)23/h3-6,8,16H,1-2,7H2,(H2,21,22,23)(H3,15,17,18,20)