N-[1-[[1-ethyl-2-(2-hydroxyethyl)-4-oxidanylidene-azetidin-3-yl]methyl]purin-6-yl]benzamide

Systemtic Name: N-[1-[[1-ethyl-2-(2-hydroxyethyl)-4-oxidanylidene-azetidin-3-yl]methyl]purin-6-yl]benzamide Openeye Name: N-[1-[[1-ethyl-2-(2-hydroxyethyl)-4-oxo-azetidin-3-yl]methyl]purin-6-yl]benzamide CAS Name: N-[1-[[1-ethyl-2-(2-hydroxyethyl)-4-oxo-3-azetidinyl]methyl]-6-purinyl]benzamide IUPAC Name: N-[1-[[1-ethyl-2-(2-hydroxyethyl)-4-oxoazetidin-3-yl]methyl]purin-6-yl]benzamide Traditional Name: N-[1-[[1-ethyl-2-(2-hydroxyethyl)-4-keto-azetidin-3-yl]methyl]purin-6-yl]benzamide Formula: C20H22N6O3 MolecularWeight: 394.42708

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(C1=O)CN2C=NC3=NC=NC3=C2NC(=O)C4=CC=CC=C4)CCO

Isomeric SMILES

CCN1C(C(C1=O)CN2C=NC3=NC=NC3=C2NC(=O)C4=CC=CC=C4)CCO

InChI

InChI=1S/C20H22N6O3/c1-2-26-15(8-9-27)14(20(26)29)10-25-12-23-17-16(21-11-22-17)18(25)24-19(28)13-6-4-3-5-7-13/h3-7,11-12,14-15,27H,2,8-10H2,1H3,(H,24,28)