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

Systemtic Name: ethyl (1R,4S)-4-(2-azanyl-6-chloranyl-purin-9-yl)-2,2-diethoxy-cyclobutane-1-carboxylate Openeye Name: ethyl (1R,4S)-4-(2-amino-6-chloro-purin-9-yl)-2,2-diethoxy-cyclobutanecarboxylate CAS Name: (1R,4S)-4-(2-amino-6-chloro-9-purinyl)-2,2-diethoxy-1-cyclobutanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,4S)-4-(2-amino-6-chloropurin-9-yl)-2,2-diethoxycyclobutane-1-carboxylate Traditional Name: (1R,4S)-4-(2-amino-6-chloro-purin-9-yl)-2,2-diethoxy-cyclobutanecarboxylic acid ethyl ester Formula: C16H22ClN5O4 MolecularWeight: 383.82998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC1(OCC)OCC)N2C=NC3=C2N=C(N=C3Cl)N

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](CC1(OCC)OCC)N2C=NC3=C2N=C(N=C3Cl)N

InChI

InChI=1S/C16H22ClN5O4/c1-4-24-14(23)10-9(7-16(10,25-5-2)26-6-3)22-8-19-11-12(17)20-15(18)21-13(11)22/h8-10H,4-7H2,1-3H3,(H2,18,20,21)/t9-,10-/m0/s1