[1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2,2-bis(chloranyl)-1-methyl-cyclopropane-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 2,2-bis(chloranyl)-1-methyl-cyclopropane-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 2,2-dichloro-1-methyl-cyclopropanecarboxylate CAS Name: 2,2-dichloro-1-methyl-1-cyclopropanecarboxylic acid [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate Traditional Name: 2,2-dichloro-1-methyl-cyclopropanecarboxylic acid [2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C13H13Cl2N5O3 MolecularWeight: 358.18002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3(CC3(Cl)Cl)C

Isomeric SMILES

CC(C(=O)NC1=NC=NC2=C1NC=N2)OC(=O)C3(CC3(Cl)Cl)C

InChI

InChI=1S/C13H13Cl2N5O3/c1-6(23-11(22)12(2)3-13(12,14)15)10(21)20-9-7-8(17-4-16-7)18-5-19-9/h4-6H,3H2,1-2H3,(H2,16,17,18,19,20,21)