4-azanyl-2-(1,3-benzodioxol-5-ylcarbamoylamino)pyrimidine-5-carboxylic acid

Systemtic Name: 4-azanyl-2-(1,3-benzodioxol-5-ylcarbamoylamino)pyrimidine-5-carboxylic acid Openeye Name: 4-amino-2-(1,3-benzodioxol-5-ylcarbamoylamino)pyrimidine-5-carboxylic acid CAS Name: 4-amino-2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-5-pyrimidinecarboxylic acid IUPAC Name: 4-amino-2-(1,3-benzodioxol-5-ylcarbamoylamino)pyrimidine-5-carboxylic acid Traditional Name: 4-amino-2-(1,3-benzodioxol-5-ylcarbamoylamino)pyrimidine-5-carboxylic acid Formula: C13H11N5O5 MolecularWeight: 317.25694

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=NC=C(C(=N3)N)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=NC=C(C(=N3)N)C(=O)O

InChI

InChI=1S/C13H11N5O5/c14-10-7(11(19)20)4-15-12(17-10)18-13(21)16-6-1-2-8-9(3-6)23-5-22-8/h1-4H,5H2,(H,19,20)(H4,14,15,16,17,18,21)