3-[2-(4-chlorophenyl)-6-oxidanylidene-3H-purin-9-yl]nonan-2-yl 4-chloranylbenzoate

Systemtic Name: 3-[2-(4-chlorophenyl)-6-oxidanylidene-3H-purin-9-yl]nonan-2-yl 4-chloranylbenzoate Openeye Name: [2-[2-(4-chlorophenyl)-6-oxo-3H-purin-9-yl]-1-methyl-octyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 3-[2-(4-chlorophenyl)-6-oxo-3H-purin-9-yl]nonan-2-yl ester IUPAC Name: 3-[2-(4-chlorophenyl)-6-oxo-3H-purin-9-yl]nonan-2-yl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-[2-(4-chlorophenyl)-6-keto-3H-purin-9-yl]-1-methyl-octyl] ester Formula: C27H28Cl2N4O3 MolecularWeight: 527.44222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)OC(=O)C1=CC=C(C=C1)Cl)N2C=NC3=C2NC(=NC3=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCC(C(C)OC(=O)C1=CC=C(C=C1)Cl)N2C=NC3=C2NC(=NC3=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H28Cl2N4O3/c1-3-4-5-6-7-22(17(2)36-27(35)19-10-14-21(29)15-11-19)33-16-30-23-25(33)31-24(32-26(23)34)18-8-12-20(28)13-9-18/h8-17,22H,3-7H2,1-2H3,(H,31,32,34)