methyl 3-[8-tert-butyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1-propyl-purin-3-yl]propanoate

Systemtic Name: methyl 3-[8-tert-butyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)-1-propyl-purin-3-yl]propanoate Openeye Name: methyl 3-(7-benzyl-8-tert-butyl-2,6-dioxo-1-propyl-purin-3-yl)propanoate CAS Name: 3-[8-tert-butyl-2,6-dioxo-7-(phenylmethyl)-1-propyl-3-purinyl]propanoic acid methyl ester IUPAC Name: methyl 3-(7-benzyl-8-tert-butyl-2,6-dioxo-1-propylpurin-3-yl)propanoate Traditional Name: 3-(7-benzyl-8-tert-butyl-2,6-diketo-1-propyl-purin-3-yl)propionic acid methyl ester Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C(C)(C)C)N(C1=O)CCC(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C(C)(C)C)N(C1=O)CCC(=O)OC

InChI

InChI=1S/C23H30N4O4/c1-6-13-26-20(29)18-19(25(22(26)30)14-12-17(28)31-5)24-21(23(2,3)4)27(18)15-16-10-8-7-9-11-16/h7-11H,6,12-15H2,1-5H3