5,6-bis(azanyl)-2-(2-prop-2-enoxyphenyl)-1H-pyrimidin-4-one; sulfuric acid

Systemtic Name: 5,6-bis(azanyl)-2-(2-prop-2-enoxyphenyl)-1H-pyrimidin-4-one; sulfuric acid Openeye Name: 2-(2-allyloxyphenyl)-5,6-diamino-1H-pyrimidin-4-one; sulfuric acid CAS Name: 5,6-diamino-2-(2-prop-2-enoxyphenyl)-1H-pyrimidin-4-one; sulfuric acid IUPAC Name: 5,6-diamino-2-(2-prop-2-enoxyphenyl)-1H-pyrimidin-4-one; sulfuric acid Traditional Name: 2-(2-allyloxyphenyl)-5,6-diamino-1H-pyrimidin-4-one; sulfuric acid Formula: C13H16N4O6S MolecularWeight: 356.35434

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C2=NC(=O)C(=C(N2)N)N.OS(=O)(=O)O

Isomeric SMILES

C=CCOC1=CC=CC=C1C2=NC(=O)C(=C(N2)N)N.OS(=O)(=O)O

InChI

InChI=1S/C13H14N4O2.H2O4S/c1-2-7-19-9-6-4-3-5-8(9)12-16-11(15)10(14)13(18)17-12;1-5(2,3)4/h2-6H,1,7,14H2,(H3,15,16,17,18);(H2,1,2,3,4)