(3-chlorophenyl) 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoate

Systemtic Name: (3-chlorophenyl) 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoate Openeye Name: (3-chlorophenyl) 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanoate CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)propanoic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoate Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propionic acid (3-chlorophenyl) ester Formula: C23H29ClN4O4 MolecularWeight: 460.95376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H29ClN4O4/c1-3-5-7-14-27-18(11-12-19(29)32-17-10-8-9-16(24)15-17)25-21-20(27)22(30)26-23(31)28(21)13-6-4-2/h8-10,15H,3-7,11-14H2,1-2H3,(H,26,30,31)