2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(3-phenylmethoxypropyl)ethanamide

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(3-phenylmethoxypropyl)ethanamide Openeye Name: N-(3-benzyloxypropyl)-2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-(3-phenylmethoxypropyl)acetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(3-phenylmethoxypropyl)acetamide Traditional Name: N-(3-benzoxypropyl)-2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)acetamide Formula: C19H22BrN5O4 MolecularWeight: 464.31308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NCCCOCC3=CC=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NCCCOCC3=CC=CC=C3)Br

InChI

InChI=1S/C19H22BrN5O4/c1-23-16-15(17(27)24(2)19(23)28)22-18(20)25(16)11-14(26)21-9-6-10-29-12-13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,21,26)