2-[(3-chloranyl-2,2-diethanoyl-4-oxidanylidene-azetidin-1-yl)amino]-3,7-dihydropurin-6-one

Systemtic Name: 2-[(3-chloranyl-2,2-diethanoyl-4-oxidanylidene-azetidin-1-yl)amino]-3,7-dihydropurin-6-one Openeye Name: 2-[(2,2-diacetyl-3-chloro-4-oxo-azetidin-1-yl)amino]-3,7-dihydropurin-6-one CAS Name: 2-[(2,2-diacetyl-3-chloro-4-oxo-1-azetidinyl)amino]-3,7-dihydropurin-6-one IUPAC Name: 2-[(2,2-diacetyl-3-chloro-4-oxoazetidin-1-yl)amino]-3,7-dihydropurin-6-one Traditional Name: 2-[(2,2-diacetyl-3-chloro-4-keto-azetidin-1-yl)amino]-3,7-dihydropurin-6-one Formula: C12H11ClN6O4 MolecularWeight: 338.70654

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C(C(=O)N1NC2=NC(=O)C3=C(N2)N=CN3)Cl)C(=O)C

Isomeric SMILES

CC(=O)C1(C(C(=O)N1NC2=NC(=O)C3=C(N2)N=CN3)Cl)C(=O)C

InChI

InChI=1S/C12H11ClN6O4/c1-4(20)12(5(2)21)7(13)10(23)19(12)18-11-16-8-6(9(22)17-11)14-3-15-8/h3,7H,1-2H3,(H3,14,15,16,17,18,22)