dipropan-2-yl 3-(2-azanyl-6-chloranyl-purin-9-yl)-2,2-bis(chloranyl)cyclopropane-1,1-dicarboxylate

Systemtic Name: dipropan-2-yl 3-(2-azanyl-6-chloranyl-purin-9-yl)-2,2-bis(chloranyl)cyclopropane-1,1-dicarboxylate Openeye Name: diisopropyl 3-(2-amino-6-chloro-purin-9-yl)-2,2-dichloro-cyclopropane-1,1-dicarboxylate CAS Name: 3-(2-amino-6-chloro-9-purinyl)-2,2-dichlorocyclopropane-1,1-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 3-(2-amino-6-chloropurin-9-yl)-2,2-dichlorocyclopropane-1,1-dicarboxylate Traditional Name: 3-(2-amino-6-chloro-purin-9-yl)-2,2-dichloro-cyclopropane-1,1-dicarboxylic acid diisopropyl ester Formula: C16H18Cl3N5O4 MolecularWeight: 450.70422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1(C(C1(Cl)Cl)N2C=NC3=C2N=C(N=C3Cl)N)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1(C(C1(Cl)Cl)N2C=NC3=C2N=C(N=C3Cl)N)C(=O)OC(C)C

InChI

InChI=1S/C16H18Cl3N5O4/c1-6(2)27-12(25)15(13(26)28-7(3)4)11(16(15,18)19)24-5-21-8-9(17)22-14(20)23-10(8)24/h5-7,11H,1-4H3,(H2,20,22,23)