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

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-tert-butyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-tert-butyl-acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-tert-butyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-tert-butylacetamide Traditional Name: N-benzyl-2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-tert-butyl-acetamide Formula: C20H24BrN5O3 MolecularWeight: 462.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C20H24BrN5O3/c1-20(2,3)26(11-13-9-7-6-8-10-13)14(27)12-25-16-15(22-18(25)21)17(28)24(5)19(29)23(16)4/h6-10H,11-12H2,1-5H3