ethyl 4-[7-(oxan-2-yl)-2,6-bis(oxidanylidene)-1,3-dipropyl-purin-8-yl]-4-oxidanyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl 4-[7-(oxan-2-yl)-2,6-bis(oxidanylidene)-1,3-dipropyl-purin-8-yl]-4-oxidanyl-cyclohexane-1-carboxylate Openeye Name: ethyl 4-(2,6-dioxo-1,3-dipropyl-7-tetrahydropyran-2-yl-purin-8-yl)-4-hydroxy-cyclohexanecarboxylate CAS Name: 4-hydroxy-4-[7-(2-oxanyl)-2,6-dioxo-1,3-dipropyl-8-purinyl]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-4-[7-(oxan-2-yl)-2,6-dioxo-1,3-dipropylpurin-8-yl]cyclohexane-1-carboxylate Traditional Name: 4-(2,6-diketo-1,3-dipropyl-7-tetrahydropyran-2-yl-purin-8-yl)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester Formula: C25H38N4O6 MolecularWeight: 490.59242

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3(CCC(CC3)C(=O)OCC)O)C4CCCCO4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3(CCC(CC3)C(=O)OCC)O)C4CCCCO4

InChI

InChI=1S/C25H38N4O6/c1-4-14-27-20-19(21(30)28(15-5-2)24(27)32)29(18-9-7-8-16-35-18)23(26-20)25(33)12-10-17(11-13-25)22(31)34-6-3/h17-18,33H,4-16H2,1-3H3