ethyl (1R,4S)-4-[2-chloranyl-6-(methylamino)purin-9-yl]-2,2-diethoxy-cyclobutane-1-carboxylate

Systemtic Name: ethyl (1R,4S)-4-[2-chloranyl-6-(methylamino)purin-9-yl]-2,2-diethoxy-cyclobutane-1-carboxylate Openeye Name: ethyl (1R,4S)-4-[2-chloro-6-(methylamino)purin-9-yl]-2,2-diethoxy-cyclobutanecarboxylate CAS Name: (1R,4S)-4-[2-chloro-6-(methylamino)-9-purinyl]-2,2-diethoxy-1-cyclobutanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,4S)-4-[2-chloro-6-(methylamino)purin-9-yl]-2,2-diethoxycyclobutane-1-carboxylate Traditional Name: (1R,4S)-4-[2-chloro-6-(methylamino)purin-9-yl]-2,2-diethoxy-cyclobutanecarboxylic acid ethyl ester Formula: C17H24ClN5O4 MolecularWeight: 397.85656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC1(OCC)OCC)N2C=NC3=C2N=C(N=C3NC)Cl

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](CC1(OCC)OCC)N2C=NC3=C2N=C(N=C3NC)Cl

InChI

InChI=1S/C17H24ClN5O4/c1-5-25-15(24)11-10(8-17(11,26-6-2)27-7-3)23-9-20-12-13(19-4)21-16(18)22-14(12)23/h9-11H,5-8H2,1-4H3,(H,19,21,22)/t10-,11-/m0/s1