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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN1C(=O)C2=C(N=CN2CC3=CC=CO3)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)CN1C(=O)C2=C(N=CN2CC3=CC=CO3)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O4/c1-2-10-23-18(28)14-27-21(29)19-20(24-15-25(19)13-17-9-6-11-31-17)26(22(27)30)12-16-7-4-3-5-8-16/h3-9,11,15H,2,10,12-14H2,1H3,(H,23,28)