[3-azanyl-5-[6-[(5-chloranyl-2-phenylmethoxy-phenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolan-2-yl] N-methylcarbamate

Systemtic Name: [3-azanyl-5-[6-[(5-chloranyl-2-phenylmethoxy-phenyl)methylamino]purin-9-yl]-4-oxidanyl-oxolan-2-yl] N-methylcarbamate Openeye Name: [3-amino-5-[6-[(2-benzyloxy-5-chloro-phenyl)methylamino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-yl] N-methylcarbamate CAS Name: N-methylcarbamic acid [3-amino-5-[6-[(5-chloro-2-phenylmethoxyphenyl)methylamino]-9-purinyl]-4-hydroxy-2-oxolanyl] ester IUPAC Name: [3-amino-5-[6-[(5-chloro-2-phenylmethoxyphenyl)methylamino]purin-9-yl]-4-hydroxyoxolan-2-yl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [3-amino-5-[6-[(2-benzoxy-5-chloro-benzyl)amino]purin-9-yl]-4-hydroxy-tetrahydrofuran-2-yl] ester Formula: C25H26ClN7O5 MolecularWeight: 539.97084

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5)O)N

Isomeric SMILES

CNC(=O)OC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5)O)N

InChI

InChI=1S/C25H26ClN7O5/c1-28-25(35)38-24-18(27)20(34)23(37-24)33-13-32-19-21(30-12-31-22(19)33)29-10-15-9-16(26)7-8-17(15)36-11-14-5-3-2-4-6-14/h2-9,12-13,18,20,23-24,34H,10-11,27H2,1H3,(H,28,35)(H,29,30,31)