2-[7-(3-methylbutyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-naphthalen-2-yl-ethanamide

Systemtic Name: 2-[7-(3-methylbutyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-(3-benzyl-7-isopentyl-2,6-dioxo-purin-1-yl)-N-(2-naphthyl)acetamide CAS Name: 2-[7-(3-methylbutyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[3-benzyl-7-(3-methylbutyl)-2,6-dioxopurin-1-yl]-N-naphthalen-2-ylacetamide Traditional Name: 2-(3-benzyl-7-isoamyl-2,6-diketo-purin-1-yl)-N-(2-naphthyl)acetamide Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC(C)CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H29N5O3/c1-20(2)14-15-32-19-30-27-26(32)28(36)34(29(37)33(27)17-21-8-4-3-5-9-21)18-25(35)31-24-13-12-22-10-6-7-11-23(22)16-24/h3-13,16,19-20H,14-15,17-18H2,1-2H3,(H,31,35)