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

Systemtic Name: 2-[3-butyl-7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)purin-1-yl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[3-butyl-7-(2-furylmethyl)-2,6-dioxo-purin-1-yl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[3-butyl-7-(2-furanylmethyl)-2,6-dioxo-1-purinyl]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[3-butyl-7-(furan-2-ylmethyl)-2,6-dioxopurin-1-yl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[3-butyl-7-(2-furfuryl)-2,6-diketo-purin-1-yl]-N-isopropyl-N-phenyl-acetamide Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O4/c1-4-5-13-28-23-22(27(17-26-23)15-20-12-9-14-34-20)24(32)29(25(28)33)16-21(31)30(18(2)3)19-10-7-6-8-11-19/h6-12,14,17-18H,4-5,13,15-16H2,1-3H3