[3-[2-[2-cyclopentyl-6-[(4-dipropylphosphorylphenyl)amino]purin-9-yl]ethyl]phenyl] azetidine-1-carboxylate

Systemtic Name: [3-[2-[2-cyclopentyl-6-[(4-dipropylphosphorylphenyl)amino]purin-9-yl]ethyl]phenyl] azetidine-1-carboxylate Openeye Name: [3-[2-[2-cyclopentyl-6-(4-dipropylphosphorylanilino)purin-9-yl]ethyl]phenyl] azetidine-1-carboxylate CAS Name: 1-azetidinecarboxylic acid [3-[2-[2-cyclopentyl-6-(4-dipropylphosphorylanilino)-9-purinyl]ethyl]phenyl] ester IUPAC Name: [3-[2-[2-cyclopentyl-6-(4-dipropylphosphorylanilino)purin-9-yl]ethyl]phenyl] azetidine-1-carboxylate Traditional Name: azetidine-1-carboxylic acid [3-[2-[2-cyclopentyl-6-(4-dipropylphosphorylanilino)purin-9-yl]ethyl]phenyl] ester Formula: C34H43N6O3P MolecularWeight: 614.717381

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Descriptors Computed from Structure

Canonical SMILES:

CCCP(=O)(CCC)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CCC4=CC(=CC=C4)OC(=O)N5CCC5)C6CCCC6

Isomeric SMILES

CCCP(=O)(CCC)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CCC4=CC(=CC=C4)OC(=O)N5CCC5)C6CCCC6

InChI

InChI=1S/C34H43N6O3P/c1-3-21-44(42,22-4-2)29-15-13-27(14-16-29)36-32-30-33(38-31(37-32)26-10-5-6-11-26)40(24-35-30)20-17-25-9-7-12-28(23-25)43-34(41)39-18-8-19-39/h7,9,12-16,23-24,26H,3-6,8,10-11,17-22H2,1-2H3,(H,36,37,38)