methyl (1R,4S)-4-(6-chloranylpurin-9-yl)-2,2-diethoxy-cyclobutane-1-carboxylate

Systemtic Name: methyl (1R,4S)-4-(6-chloranylpurin-9-yl)-2,2-diethoxy-cyclobutane-1-carboxylate Openeye Name: methyl (1R,4S)-4-(6-chloropurin-9-yl)-2,2-diethoxy-cyclobutanecarboxylate CAS Name: (1R,4S)-4-(6-chloro-9-purinyl)-2,2-diethoxy-1-cyclobutanecarboxylic acid methyl ester IUPAC Name: methyl (1R,4S)-4-(6-chloropurin-9-yl)-2,2-diethoxycyclobutane-1-carboxylate Traditional Name: (1R,4S)-4-(6-chloropurin-9-yl)-2,2-diethoxy-cyclobutanecarboxylic acid methyl ester Formula: C15H19ClN4O4 MolecularWeight: 354.78876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CC(C1C(=O)OC)N2C=NC3=C2N=CN=C3Cl)OCC

Isomeric SMILES

CCOC1(C[C@@H]([C@H]1C(=O)OC)N2C=NC3=C2N=CN=C3Cl)OCC

InChI

InChI=1S/C15H19ClN4O4/c1-4-23-15(24-5-2)6-9(10(15)14(21)22-3)20-8-19-11-12(16)17-7-18-13(11)20/h7-10H,4-6H2,1-3H3/t9-,10-/m0/s1