[2-ethyl-5-[6-(heptylamino)-2-phenylmethoxy-purin-9-yl]oxolan-3-yl] ethanoate

Systemtic Name: [2-ethyl-5-[6-(heptylamino)-2-phenylmethoxy-purin-9-yl]oxolan-3-yl] ethanoate Openeye Name: [5-[2-benzyloxy-6-(heptylamino)purin-9-yl]-2-ethyl-tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [2-ethyl-5-[6-(heptylamino)-2-phenylmethoxy-9-purinyl]-3-oxolanyl] ester IUPAC Name: [2-ethyl-5-[6-(heptylamino)-2-phenylmethoxypurin-9-yl]oxolan-3-yl] acetate Traditional Name: acetic acid [5-[2-benzoxy-6-(heptylamino)purin-9-yl]-2-ethyl-tetrahydrofuran-3-yl] ester Formula: C27H37N5O4 MolecularWeight: 495.61378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=NC(=NC2=C1N=CN2C3CC(C(O3)CC)OC(=O)C)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCNC1=NC(=NC2=C1N=CN2C3CC(C(O3)CC)OC(=O)C)OCC4=CC=CC=C4

InChI

InChI=1S/C27H37N5O4/c1-4-6-7-8-12-15-28-25-24-26(31-27(30-25)34-17-20-13-10-9-11-14-20)32(18-29-24)23-16-22(35-19(3)33)21(5-2)36-23/h9-11,13-14,18,21-23H,4-8,12,15-17H2,1-3H3,(H,28,30,31)