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

Systemtic Name: 2-[7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-[3-benzyl-7-(2-furylmethyl)-2,6-dioxo-purin-1-yl]acetamide CAS Name: 2-[7-(2-furanylmethyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-[3-benzyl-7-(furan-2-ylmethyl)-2,6-dioxopurin-1-yl]acetamide Traditional Name: 2-[3-benzyl-7-(2-furfuryl)-2,6-diketo-purin-1-yl]acetamide Formula: C19H17N5O4 MolecularWeight: 379.36938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CC(=O)N)N(C=N3)CC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CC(=O)N)N(C=N3)CC4=CC=CO4

InChI

InChI=1S/C19H17N5O4/c20-15(25)11-24-18(26)16-17(21-12-22(16)10-14-7-4-8-28-14)23(19(24)27)9-13-5-2-1-3-6-13/h1-8,12H,9-11H2,(H2,20,25)