N-(6-chloranyl-7H-purin-2-yl)-4-oxidanyl-2-oxidanylidene-pyrimido[1,2-a]pyrimidine-3-carboxamide

Systemtic Name: N-(6-chloranyl-7H-purin-2-yl)-4-oxidanyl-2-oxidanylidene-pyrimido[1,2-a]pyrimidine-3-carboxamide Openeye Name: N-(6-chloro-7H-purin-2-yl)-4-hydroxy-2-oxo-pyrimido[1,2-a]pyrimidine-3-carboxamide CAS Name: N-(6-chloro-7H-purin-2-yl)-4-hydroxy-2-oxo-3-pyrimido[1,2-a]pyrimidinecarboxamide IUPAC Name: N-(6-chloro-7H-purin-2-yl)-4-hydroxy-2-oxopyrimido[1,2-a]pyrimidine-3-carboxamide Traditional Name: N-(6-chloro-7H-purin-2-yl)-4-hydroxy-2-keto-pyrimido[1,2-a]pyrimidine-3-carboxamide Formula: C13H7ClN8O3 MolecularWeight: 358.69948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN2C(=C(C(=O)N=C2N=C1)C(=O)NC3=NC4=C(C(=N3)Cl)NC=N4)O

Isomeric SMILES

C1=CN2C(=C(C(=O)N=C2N=C1)C(=O)NC3=NC4=C(C(=N3)Cl)NC=N4)O

InChI

InChI=1S/C13H7ClN8O3/c14-7-6-8(17-4-16-6)19-12(18-7)20-9(23)5-10(24)21-13-15-2-1-3-22(13)11(5)25/h1-4,25H,(H2,16,17,18,19,20,23)