7-oxidanyl-9-oxidanylidene-N-(7H-purin-6-yl)-1H-pyrimido[2,1-f]purine-8-carboxamide

Systemtic Name: 7-oxidanyl-9-oxidanylidene-N-(7H-purin-6-yl)-1H-pyrimido[2,1-f]purine-8-carboxamide Openeye Name: 7-hydroxy-9-oxo-N-(7H-purin-6-yl)-1H-pyrimido[2,1-f]purine-8-carboxamide CAS Name: 7-hydroxy-9-oxo-N-(7H-purin-6-yl)-1H-pyrimido[2,1-f]purine-8-carboxamide IUPAC Name: 7-hydroxy-9-oxo-N-(7H-purin-6-yl)-1H-pyrimido[2,1-f]purine-8-carboxamide Traditional Name: 7-hydroxy-9-keto-N-(7H-purin-6-yl)-1H-pyrimido[2,1-f]purine-8-carboxamide Formula: C14H8N10O3 MolecularWeight: 364.27852

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)NC(=O)C3=C(N4C=NC5=C(C4=NC3=O)NC=N5)O

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)NC(=O)C3=C(N4C=NC5=C(C4=NC3=O)NC=N5)O

InChI

InChI=1S/C14H8N10O3/c25-12(22-10-6-8(17-1-15-6)19-3-20-10)5-13(26)23-11-7-9(18-2-16-7)21-4-24(11)14(5)27/h1-4,27H,(H,16,18)(H2,15,17,19,20,22,25)