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

Systemtic Name: dimethyl 3-(2-azanyl-6-phenylmethoxy-purin-9-yl)-2,2-bis(chloranyl)cyclopropane-1,1-dicarboxylate Openeye Name: dimethyl 3-(2-amino-6-benzyloxy-purin-9-yl)-2,2-dichloro-cyclopropane-1,1-dicarboxylate CAS Name: 3-(2-amino-6-phenylmethoxy-9-purinyl)-2,2-dichlorocyclopropane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-(2-amino-6-phenylmethoxypurin-9-yl)-2,2-dichlorocyclopropane-1,1-dicarboxylate Traditional Name: 3-(2-amino-6-benzoxy-purin-9-yl)-2,2-dichloro-cyclopropane-1,1-dicarboxylic acid dimethyl ester Formula: C19H17Cl2N5O5 MolecularWeight: 466.27478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(C1(Cl)Cl)N2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)C(=O)OC

Isomeric SMILES

COC(=O)C1(C(C1(Cl)Cl)N2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)C(=O)OC

InChI

InChI=1S/C19H17Cl2N5O5/c1-29-15(27)18(16(28)30-2)14(19(18,20)21)26-9-23-11-12(26)24-17(22)25-13(11)31-8-10-6-4-3-5-7-10/h3-7,9,14H,8H2,1-2H3,(H2,22,24,25)