N-tert-butyl-2-[3-butyl-7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: N-tert-butyl-2-[3-butyl-7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-[3-butyl-7-(2-furylmethyl)-2,6-dioxo-purin-1-yl]acetamide CAS Name: N-tert-butyl-2-[3-butyl-7-(2-furanylmethyl)-2,6-dioxo-1-purinyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-[3-butyl-7-(furan-2-ylmethyl)-2,6-dioxopurin-1-yl]acetamide Traditional Name: N-benzyl-N-tert-butyl-2-[3-butyl-7-(2-furfuryl)-2,6-diketo-purin-1-yl]acetamide Formula: C27H33N5O4 MolecularWeight: 491.58202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N(CC3=CC=CC=C3)C(C)(C)C)N(C=N2)CC4=CC=CO4

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)N(CC3=CC=CC=C3)C(C)(C)C)N(C=N2)CC4=CC=CO4

InChI

InChI=1S/C27H33N5O4/c1-5-6-14-30-24-23(29(19-28-24)17-21-13-10-15-36-21)25(34)31(26(30)35)18-22(33)32(27(2,3)4)16-20-11-8-7-9-12-20/h7-13,15,19H,5-6,14,16-18H2,1-4H3