N-[9-[2-oxidanylidene-1-phenylmethoxy-4-(phenylmethoxymethyl)azetidin-3-yl]purin-6-yl]benzamide

Systemtic Name: N-[9-[2-oxidanylidene-1-phenylmethoxy-4-(phenylmethoxymethyl)azetidin-3-yl]purin-6-yl]benzamide Openeye Name: N-[9-[1-benzyloxy-2-(benzyloxymethyl)-4-oxo-azetidin-3-yl]purin-6-yl]benzamide CAS Name: N-[9-[2-oxo-1-phenylmethoxy-4-(phenylmethoxymethyl)-3-azetidinyl]-6-purinyl]benzamide IUPAC Name: N-[9-[2-oxo-1-phenylmethoxy-4-(phenylmethoxymethyl)azetidin-3-yl]purin-6-yl]benzamide Traditional Name: N-[9-[1-benzoxy-2-(benzoxymethyl)-4-keto-azetidin-3-yl]purin-6-yl]benzamide Formula: C30H26N6O4 MolecularWeight: 534.56524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(=O)N2OCC3=CC=CC=C3)N4C=NC5=C4N=CN=C5NC(=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COCC2C(C(=O)N2OCC3=CC=CC=C3)N4C=NC5=C4N=CN=C5NC(=O)C6=CC=CC=C6

InChI

InChI=1S/C30H26N6O4/c37-29(23-14-8-3-9-15-23)34-27-25-28(32-19-31-27)35(20-33-25)26-24(18-39-16-21-10-4-1-5-11-21)36(30(26)38)40-17-22-12-6-2-7-13-22/h1-15,19-20,24,26H,16-18H2,(H,31,32,34,37)