diethyl 2-(2-azanyl-6-phenylmethoxy-purin-9-yl)cyclopropane-1,1-dicarboxylate

Systemtic Name: diethyl 2-(2-azanyl-6-phenylmethoxy-purin-9-yl)cyclopropane-1,1-dicarboxylate Openeye Name: diethyl 2-(2-amino-6-benzyloxy-purin-9-yl)cyclopropane-1,1-dicarboxylate CAS Name: 2-(2-amino-6-phenylmethoxy-9-purinyl)cyclopropane-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(2-amino-6-phenylmethoxypurin-9-yl)cyclopropane-1,1-dicarboxylate Traditional Name: 2-(2-amino-6-benzoxy-purin-9-yl)cyclopropane-1,1-dicarboxylic acid diethyl ester Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC1N2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC1N2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)N)C(=O)OCC

InChI

InChI=1S/C21H23N5O5/c1-3-29-18(27)21(19(28)30-4-2)10-14(21)26-12-23-15-16(26)24-20(22)25-17(15)31-11-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3,(H2,22,24,25)