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

Systemtic Name: 2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-(furan-2-ylmethyl)-N-methyl-ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(2-furylmethyl)-N-methyl-acetamide CAS Name: 2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(2-furanylmethyl)-N-methylacetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(furan-2-ylmethyl)-N-methylacetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(2-furfuryl)-N-methyl-acetamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N(C)CC4=CC=CO4

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N(C)CC4=CC=CO4

InChI

InChI=1S/C22H23N5O4/c1-3-25-15-23-20-19(25)21(29)27(14-18(28)24(2)13-17-10-7-11-31-17)22(30)26(20)12-16-8-5-4-6-9-16/h4-11,15H,3,12-14H2,1-2H3