diethyl 2-[(7H-purin-6-ylamino)methylidene]propanedioate

Systemtic Name: diethyl 2-[(7H-purin-6-ylamino)methylidene]propanedioate Openeye Name: diethyl 2-[(7H-purin-6-ylamino)methylene]propanedioate CAS Name: 2-[(7H-purin-6-ylamino)methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(7H-purin-6-ylamino)methylidene]propanedioate Traditional Name: 2-[(7H-purin-6-ylamino)methylene]malonic acid diethyl ester Formula: C13H15N5O4 MolecularWeight: 305.2893

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC=NC2=C1NC=N2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=NC=NC2=C1NC=N2)C(=O)OCC

InChI

InChI=1S/C13H15N5O4/c1-3-21-12(19)8(13(20)22-4-2)5-14-10-9-11(16-6-15-9)18-7-17-10/h5-7H,3-4H2,1-2H3,(H2,14,15,16,17,18)